4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C18H17N7 — CID 133409050

IUPAC4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCc3cccc(Cn4ccnc4)c3)ncnc2n1
InChIInChI=1S/C18H17N7/c19-16-5-4-15-17(22-11-23-18(15)24-16)21-9-13-2-1-3-14(8-13)10-25-7-6-20-12-25/h1-8,11-12H,9-10H2,(H3,19,21,22,23,24)
InChIKeyZVOVMSWUMKMJDI-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.46
Rot. Bonds5

About 4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133409050) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133409050
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCc3cccc(Cn4ccnc4)c3)ncnc2n1
InChIInChI=1S/C18H17N7/c19-16-5-4-15-17(22-11-23-18(15)24-16)21-9-13-2-1-3-14(8-13)10-25-7-6-20-12-25/h1-8,11-12H,9-10H2,(H3,19,21,22,23,24)
InChIKeyZVOVMSWUMKMJDI-UHFFFAOYSA-N
XLogP2.46
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133409598
4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409461
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 75431705
4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408154
N-[[3-(aminomethyl)phenyl]methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118482532
3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
CID 43737809
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 146083976
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 139004553
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 133409051
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
3-cyclopropyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 133335553
1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea
CID 133409466

Frequently Asked Questions

What is the IUPAC name of 4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133409050) is 4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NCc3cccc(Cn4ccnc4)c3)ncnc2n1.
What is the InChIKey of 4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is ZVOVMSWUMKMJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c19-16-5-4-15-17(22-11-23-18(15)24-16)21-9-13-2-1-3-14(8-13)10-25-7-6-20-12-25/h1-8,11-12H,9-10H2,(H3,19,21,22,23,24).
What are the key properties of 4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 331.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133409050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).