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

C16H10N10O — CID 169380842

IUPAC[5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2cccc3c2=NC(=O)N=3)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C16H10N10O/c17-4-7-10(19)9-12(6-2-1-3-8-11(6)24-16(27)22-8)23-15(21-5-18)26-14(9)25-13(7)20/h1-3,12H,(H6,19,20,21,23,25,26)
InChIKeyDYWUNRFHXPSVFE-UHFFFAOYSA-N
MW358.33 g/mol
LogP-0.57
Rot. Bonds1

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

[5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169380842) has the molecular formula C16H10N10O and a molecular weight of 358.33 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169380842
Molecular FormulaC16H10N10O
Molecular Weight358.33 g/mol
Exact Mass358.10
IUPAC Name[5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2cccc3c2=NC(=O)N=3)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C16H10N10O/c17-4-7-10(19)9-12(6-2-1-3-8-11(6)24-16(27)22-8)23-15(21-5-18)26-14(9)25-13(7)20/h1-3,12H,(H6,19,20,21,23,25,26)
InChIKeyDYWUNRFHXPSVFE-UHFFFAOYSA-N
XLogP-0.57
TPSA190.72 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 5-0.57
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'}

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Related Compounds

[5,7-diamino-6-cyano-4-(2-hydroxy-3-nitrophenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379782
[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-[2-(2-fluorophenyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379386
[5,7-diamino-6-cyano-4-(2,5-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378775
[5,7-diamino-6-cyano-4-[2-(4-cyanophenyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379401
[5,7-diamino-6-cyano-4-[2-(3-cyanophenyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379404
[5,7-diamino-6-cyano-4-[2-(difluoromethoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378709
[5,7-diamino-4-(2-chloro-4-fluorophenyl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378544
[5,7-diamino-6-cyano-4-(3,5-dibromo-2-hydroxyphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378571
5-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]-2,4-dimethylbenzoic acid
CID 169380102
[5,7-diamino-4-(5-chloro-2-fluorophenyl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378591
[5,7-diamino-6-cyano-4-(3-cyclopropylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379616

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169380842) is [5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is N#CNC1=NC(c2cccc3c2=NC(=O)N=3)c2c(nc(N)c(C#N)c2N)N1.
What is the InChIKey of [5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is DYWUNRFHXPSVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N10O/c17-4-7-10(19)9-12(6-2-1-3-8-11(6)24-16(27)22-8)23-15(21-5-18)26-14(9)25-13(7)20/h1-3,12H,(H6,19,20,21,23,25,26).
What are the key properties of [5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 358.33 g/mol, XLogP of -0.57, 1 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-(2-oxobenzimidazol-4-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169380842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).