5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-chroman-5-yl]methyl]pyrimidine-2,4-diamine
Thuốc Gốc
Small Molecule
CTHH: C19H24N4O3
PTK: 356.4189
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H24N4O3
Phân tử khối
356.4189
Monoisotopic mass
356.184840654
InChI
InChI=1S/C19H24N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h8-10,14H,3-7H2,1-2H3,(H4,20,21,22,23)/t14-/m1/s1
InChI Key
InChIKey=NDFSISRMJLBWAF-CQSZACIVSA-N
IUPAC Name
5-{[(2R)-2-cyclopropyl-7,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-5-yl]methyl}pyrimidine-2,4-diamine
Traditional IUPAC Name
5-{[(2R)-2-cyclopropyl-7,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-5-yl]methyl}pyrimidine-2,4-diamine
SMILES
[H][C@@]1(CCC2=C(O1)C(OC)=C(OC)C=C2CC1=CN=C(N)N=C1N)C1CC1
Độ hòa tan
1.40e-01 g/l
logP
2.61
logS
-3.4
pKa (strongest acidic)
17.33
pKa (Strongest Basic)
7.16
PSA
105.51 Å2
Refractivity
101.03 m3·mol-1
Polarizability
38.11 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
7
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading