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

C20H20F2N8O — CID 169379028

IUPAC[5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCC(C)CCOc1c(F)cc(F)cc1C1N=C(NC#N)Nc2nc(N)c(C#N)c(N)c21
InChIInChI=1S/C20H20F2N8O/c1-9(2)3-4-31-17-11(5-10(21)6-13(17)22)16-14-15(25)12(7-23)18(26)29-19(14)30-20(28-16)27-8-24/h5-6,9,16H,3-4H2,1-2H3,(H6,25,26,27,28,29,30)
InChIKeyOWPXLTWFGGBNNW-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.76
Rot. Bonds5

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

[5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169379028) has the molecular formula C20H20F2N8O and a molecular weight of 426.43 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169379028
Molecular FormulaC20H20F2N8O
Molecular Weight426.43 g/mol
Exact Mass426.17
IUPAC Name[5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCC(C)CCOc1c(F)cc(F)cc1C1N=C(NC#N)Nc2nc(N)c(C#N)c(N)c21
InChIInChI=1S/C20H20F2N8O/c1-9(2)3-4-31-17-11(5-10(21)6-13(17)22)16-14-15(25)12(7-23)18(26)29-19(14)30-20(28-16)27-8-24/h5-6,9,16H,3-4H2,1-2H3,(H6,25,26,27,28,29,30)
InChIKeyOWPXLTWFGGBNNW-UHFFFAOYSA-N
XLogP2.76
TPSA158.16 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 52.76
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-[3,5-difluoro-2-(3-methylbutoxy)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-(3,5-difluoro-2-methoxyphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379648
[2-[5,7-diamino-6-cyano-2-(cyanoamino)-1,4-dihydropyrido[2,3-d]pyrimidin-4-yl]-4-fluorophenyl]boronic acid
CID 169378805
[5,7-diamino-6-cyano-4-(2,3,4,5-tetrafluorophenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381314
[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-4-(3-chloro-4-ethoxy-5-fluorophenyl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380138
[5,7-diamino-6-cyano-4-[5-(difluoromethoxy)-2-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380925
[5,7-diamino-4-(5-bromo-2-fluoro-4-methoxyphenyl)-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380091
[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-fluoro-4-(propan-2-yloxymethyl)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379174
[5,7-diamino-6-cyano-4-(2-fluoro-4-methylsulfonylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381372
[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-(5-fluoro-2-nitrophenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378586

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169379028) is [5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is CC(C)CCOc1c(F)cc(F)cc1C1N=C(NC#N)Nc2nc(N)c(C#N)c(N)c21.
What is the InChIKey of [5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is OWPXLTWFGGBNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N8O/c1-9(2)3-4-31-17-11(5-10(21)6-13(17)22)16-14-15(25)12(7-23)18(26)29-19(14)30-20(28-16)27-8-24/h5-6,9,16H,3-4H2,1-2H3,(H6,25,26,27,28,29,30).
What are the key properties of [5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 426.43 g/mol, XLogP of 2.76, 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-[3,5-difluoro-2-(3-methylbutoxy)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169379028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).