[5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

C20H20N8O2 — CID 169380062

IUPAC[5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESC=C(C)COc1c(OC)cccc1C1N=C(NC#N)Nc2nc(N)c(C#N)c(N)c21
InChIInChI=1S/C20H20N8O2/c1-10(2)8-30-17-11(5-4-6-13(17)29-3)16-14-15(23)12(7-21)18(24)27-19(14)28-20(26-16)25-9-22/h4-6,16H,1,8H2,2-3H3,(H6,23,24,25,26,27,28)
InChIKeyBXAQSDTVOVVEQQ-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.02
Rot. Bonds5

About [5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide

[5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169380062) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169380062
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name[5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESC=C(C)COc1c(OC)cccc1C1N=C(NC#N)Nc2nc(N)c(C#N)c(N)c21
InChIInChI=1S/C20H20N8O2/c1-10(2)8-30-17-11(5-4-6-13(17)29-3)16-14-15(23)12(7-21)18(24)27-19(14)28-20(26-16)25-9-22/h4-6,16H,1,8H2,2-3H3,(H6,23,24,25,26,27,28)
InChIKeyBXAQSDTVOVVEQQ-UHFFFAOYSA-N
XLogP2.02
TPSA167.39 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)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-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380204
[5,7-diamino-6-cyano-4-[2-[2-(1,3-dioxolan-2-yl)ethoxy]-3-methoxyphenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380470
[5,7-diamino-6-cyano-4-[3-methoxy-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380225
[5,7-diamino-4-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379860
[5,7-diamino-6-cyano-4-[2-methoxy-3-(trifluoromethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380107
2-[2-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]phenoxy]propanoic acid
CID 169380019
2-[4-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]-2-methoxyphenoxy]acetic acid
CID 169379603
[5,7-diamino-6-cyano-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379712
[5,7-diamino-4-[2-[(4-bromophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379851
[5,7-diamino-6-cyano-4-[2-(difluoromethoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378709
[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-4-(2-chloro-4-hydroxy-5-methoxyphenyl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379673

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169380062) is [5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is C=C(C)COc1c(OC)cccc1C1N=C(NC#N)Nc2nc(N)c(C#N)c(N)c21.
What is the InChIKey of [5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is BXAQSDTVOVVEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-10(2)8-30-17-11(5-4-6-13(17)29-3)16-14-15(23)12(7-21)18(24)27-19(14)28-20(26-16)25-9-22/h4-6,16H,1,8H2,2-3H3,(H6,23,24,25,26,27,28).
What are the key properties of [5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 404.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-diamino-6-cyano-4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169380062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).