[5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

C23H27N9 — CID 169379195

IUPAC[5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCN(Cc1ccc(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)cc1)C1CCCCC1
InChIInChI=1S/C23H27N9/c1-32(16-5-3-2-4-6-16)12-14-7-9-15(10-8-14)20-18-19(26)17(11-24)21(27)30-22(18)31-23(29-20)28-13-25/h7-10,16,20H,2-6,12H2,1H3,(H6,26,27,28,29,30,31)
InChIKeyIAMVBGMLTGXITO-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.82
Rot. Bonds4

About [5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

[5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169379195) has the molecular formula C23H27N9 and a molecular weight of 429.53 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169379195
Molecular FormulaC23H27N9
Molecular Weight429.53 g/mol
Exact Mass429.24
IUPAC Name[5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCN(Cc1ccc(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)cc1)C1CCCCC1
InChIInChI=1S/C23H27N9/c1-32(16-5-3-2-4-6-16)12-14-7-9-15(10-8-14)20-18-19(26)17(11-24)21(27)30-22(18)31-23(29-20)28-13-25/h7-10,16,20H,2-6,12H2,1H3,(H6,26,27,28,29,30,31)
InChIKeyIAMVBGMLTGXITO-UHFFFAOYSA-N
XLogP2.82
TPSA152.17 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze [5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide 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

[5,7-diamino-6-cyano-4-(4-ethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378464
[5,7-diamino-6-cyano-4-[4-(dimethylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378474
[5,7-diamino-6-cyano-4-[4-(morpholin-4-ylmethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378966
[5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380818
[5,7-diamino-6-cyano-4-(3,4-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378500
[5,7-diamino-6-cyano-4-[2-[(dimethylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380365
[5,7-diamino-6-cyano-4-[4-(3-cyanopropoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380487
[5,7-diamino-6-cyano-4-(4-morpholin-4-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378706
benzyl N-[4-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]phenyl]carbamate
CID 169380911
[5,7-diamino-6-cyano-4-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379158
[5,7-diamino-4-[4-(azepan-1-ylmethyl)-3-fluorophenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379157
[5,7-diamino-6-cyano-4-(1-ethyl-2,3-dihydroindol-5-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379592

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169379195) is [5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is CN(Cc1ccc(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)cc1)C1CCCCC1.
What is the InChIKey of [5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is IAMVBGMLTGXITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9/c1-32(16-5-3-2-4-6-16)12-14-7-9-15(10-8-14)20-18-19(26)17(11-24)21(27)30-22(18)31-23(29-20)28-13-25/h7-10,16,20H,2-6,12H2,1H3,(H6,26,27,28,29,30,31).
What are the key properties of [5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 429.53 g/mol, XLogP of 2.82, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169379195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).