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

C22H20N8O — CID 169379975

IUPAC[5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCC(C)Oc1ccc2ccccc2c1C1N=C(NC#N)Nc2nc(N)c(C#N)c(N)c21
InChIInChI=1S/C22H20N8O/c1-11(2)31-15-8-7-12-5-3-4-6-13(12)16(15)19-17-18(25)14(9-23)20(26)29-21(17)30-22(28-19)27-10-24/h3-8,11,19H,1-2H3,(H6,25,26,27,28,29,30)
InChIKeyJPLVWNVPUOQRAQ-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.00
Rot. Bonds3

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

[5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169379975) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169379975
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name[5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCC(C)Oc1ccc2ccccc2c1C1N=C(NC#N)Nc2nc(N)c(C#N)c(N)c21
InChIInChI=1S/C22H20N8O/c1-11(2)31-15-8-7-12-5-3-4-6-13(12)16(15)19-17-18(25)14(9-23)20(26)29-21(17)30-22(28-19)27-10-24/h3-8,11,19H,1-2H3,(H6,25,26,27,28,29,30)
InChIKeyJPLVWNVPUOQRAQ-UHFFFAOYSA-N
XLogP3.00
TPSA158.16 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.00
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-(difluoromethoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378709
2-[2-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]phenoxy]propanoic acid
CID 169380019
[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-(4-bromonaphthalen-2-yl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380889
[5,7-diamino-6-cyano-4-(2,3,4,5,6-pentamethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379326
[5,7-diamino-6-cyano-4-[3-(difluoromethoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378767
[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-(4-methoxy-3-phenylmethoxyphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378606
[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-[2-(2-fluorophenyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379386
[5,7-diamino-6-cyano-4-[2-hydroxy-6-(methylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381029
[5,7-diamino-6-cyano-4-(4-ethoxy-2,6-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379024

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169379975) is [5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is CC(C)Oc1ccc2ccccc2c1C1N=C(NC#N)Nc2nc(N)c(C#N)c(N)c21.
What is the InChIKey of [5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is JPLVWNVPUOQRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-11(2)31-15-8-7-12-5-3-4-6-13(12)16(15)19-17-18(25)14(9-23)20(26)29-21(17)30-22(28-19)27-10-24/h3-8,11,19H,1-2H3,(H6,25,26,27,28,29,30).
What are the key properties of [5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-(2-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 412.46 g/mol, XLogP of 3.00, 3 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-propan-2-yloxynaphthalen-1-yl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169379975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).