2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine

C25H33N7O — CID 172734505

IUPAC2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1cc(-c2ncc(C)n2C)ccc1C1(N)N=Cc2cc(C)nc(NCC(C)(C)C)c2N1
InChIInChI=1S/C25H33N7O/c1-15-10-18-13-29-25(26,31-21(18)22(30-15)28-14-24(3,4)5)19-9-8-17(11-20(19)33-7)23-27-12-16(2)32(23)6/h8-13,31H,14,26H2,1-7H3,(H,28,30)
InChIKeyIGAJYNJLPSYDSB-UHFFFAOYSA-N
MW447.59 g/mol
LogP4.18
Rot. Bonds5

About 2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine

2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 172734505) has the molecular formula C25H33N7O and a molecular weight of 447.59 g/mol. Its IUPAC name is 2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID172734505
Molecular FormulaC25H33N7O
Molecular Weight447.59 g/mol
Exact Mass447.27
IUPAC Name2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1cc(-c2ncc(C)n2C)ccc1C1(N)N=Cc2cc(C)nc(NCC(C)(C)C)c2N1
InChIInChI=1S/C25H33N7O/c1-15-10-18-13-29-25(26,31-21(18)22(30-15)28-14-24(3,4)5)19-9-8-17(11-20(19)33-7)23-27-12-16(2)32(23)6/h8-13,31H,14,26H2,1-7H3,(H,28,30)
InChIKeyIGAJYNJLPSYDSB-UHFFFAOYSA-N
XLogP4.18
TPSA102.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

8-N-(2,2-dimethylpropyl)-2-[2-methoxy-4-[3-(2-methoxyethyl)-2-methylimidazol-4-yl]phenyl]-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
CID 172733590
8-N-(2,2-dimethylpropyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
CID 172786800
2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-ethoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
CID 172681486
2-[2-(difluoromethoxy)-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(2-methoxy-2-methylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
CID 160666996
2-[2-methoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-8-N-[1-(oxan-4-yl)ethyl]-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
CID 172843641
2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
CID 172759934
2-N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387151
N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine
CID 159726779
8-N-(2,2-dimethylpropyl)-2-N-[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 91864586
4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine
CID 70810179
N-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinolin-1-amine
CID 106537879
N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyrido[3,4-d]pyrimidin-8-amine
CID 147736244

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine (CID 172734505) is 2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine is COc1cc(-c2ncc(C)n2C)ccc1C1(N)N=Cc2cc(C)nc(NCC(C)(C)C)c2N1.
What is the InChIKey of 2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is IGAJYNJLPSYDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O/c1-15-10-18-13-29-25(26,31-21(18)22(30-15)28-14-24(3,4)5)19-9-8-17(11-20(19)33-7)23-27-12-16(2)32(23)6/h8-13,31H,14,26H2,1-7H3,(H,28,30).
What are the key properties of 2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine?
2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 447.59 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,5-dimethylimidazol-2-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methyl-1H-pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 172734505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).