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

C23H26N8O — CID 169379101

IUPAC[5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2cccc(COCC3CCCCC3)c2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C23H26N8O/c24-10-17-19(26)18-20(29-23(28-13-25)31-22(18)30-21(17)27)16-8-4-7-15(9-16)12-32-11-14-5-2-1-3-6-14/h4,7-9,14,20H,1-3,5-6,11-12H2,(H6,26,27,28,29,30,31)
InChIKeyRCRAUBZMZSELDM-UHFFFAOYSA-N
MW430.52 g/mol
LogP3.16
Rot. Bonds5

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

[5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169379101) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169379101
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name[5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESN#CNC1=NC(c2cccc(COCC3CCCCC3)c2)c2c(nc(N)c(C#N)c2N)N1
InChIInChI=1S/C23H26N8O/c24-10-17-19(26)18-20(29-23(28-13-25)31-22(18)30-21(17)27)16-8-4-7-15(9-16)12-32-11-14-5-2-1-3-6-14/h4,7-9,14,20H,1-3,5-6,11-12H2,(H6,26,27,28,29,30,31)
InChIKeyRCRAUBZMZSELDM-UHFFFAOYSA-N
XLogP3.16
TPSA158.16 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 53.16
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-(3-cyclopropylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379616
[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-6-cyano-4-[3-(1,3-dioxan-2-yl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379741
[5,7-diamino-6-cyano-4-(3-pyrrolidin-1-ylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379762
[5,7-diamino-6-cyano-4-[3-(difluoromethoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378767
[5,7-diamino-6-cyano-4-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379195
[5,7-diamino-6-cyano-4-(4-methoxy-3-phenylmethoxyphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378606
[5,7-diamino-6-cyano-4-(3-propylsulfanylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379063
[5,7-diamino-6-cyano-4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379906
[5,7-diamino-6-cyano-4-[3-[(4-nitrophenyl)methoxy]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379960
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-4-[3-[(2-chlorophenyl)methoxy]phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379634

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169379101) is [5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is N#CNC1=NC(c2cccc(COCC3CCCCC3)c2)c2c(nc(N)c(C#N)c2N)N1.
What is the InChIKey of [5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is RCRAUBZMZSELDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c24-10-17-19(26)18-20(29-23(28-13-25)31-22(18)30-21(17)27)16-8-4-7-15(9-16)12-32-11-14-5-2-1-3-6-14/h4,7-9,14,20H,1-3,5-6,11-12H2,(H6,26,27,28,29,30,31).
What are the key properties of [5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 430.52 g/mol, XLogP of 3.16, 5 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-[3-(cyclohexylmethoxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169379101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).