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

C18H18FN9 — CID 169380818

IUPAC[5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCN(C)Cc1cc(F)cc(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)c1
InChIInChI=1S/C18H18FN9/c1-28(2)7-9-3-10(5-11(19)4-9)15-13-14(22)12(6-20)16(23)26-17(13)27-18(25-15)24-8-21/h3-5,15H,7H2,1-2H3,(H6,22,23,24,25,26,27)
InChIKeyPXXWHDJEFBXYDE-UHFFFAOYSA-N
MW379.40 g/mol
LogP1.26
Rot. Bonds3

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

[5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (PubChem CID 169380818) has the molecular formula C18H18FN9 and a molecular weight of 379.40 g/mol. Its IUPAC name is [5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
PubChem CID169380818
Molecular FormulaC18H18FN9
Molecular Weight379.40 g/mol
Exact Mass379.17
IUPAC Name[5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
SMILESCN(C)Cc1cc(F)cc(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)c1
InChIInChI=1S/C18H18FN9/c1-28(2)7-9-3-10(5-11(19)4-9)15-13-14(22)12(6-20)16(23)26-17(13)27-18(25-15)24-8-21/h3-5,15H,7H2,1-2H3,(H6,22,23,24,25,26,27)
InChIKeyPXXWHDJEFBXYDE-UHFFFAOYSA-N
XLogP1.26
TPSA152.17 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.26
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-[(dimethylamino)methyl]-5-fluorophenyl]-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-(4-ethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378464
[5,7-diamino-6-cyano-4-[4-(dimethylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378474
[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-[2-[(dimethylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169380365
[5,7-diamino-6-cyano-4-(3,5-difluoro-2-methoxyphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379648
[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-(3,4-dimethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378500
[5,7-diamino-6-cyano-4-[4-(diethylamino)phenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169378498
[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-4-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-6-cyano-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169381028
[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-6-cyano-4-(2,3,4,5,6-pentamethylphenyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide
CID 169379326

Frequently Asked Questions

What is the IUPAC name of [5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The IUPAC name of [5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide (CID 169380818) is [5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The canonical SMILES for [5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is CN(C)Cc1cc(F)cc(C2N=C(NC#N)Nc3nc(N)c(C#N)c(N)c32)c1.
What is the InChIKey of [5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
The InChIKey is PXXWHDJEFBXYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN9/c1-28(2)7-9-3-10(5-11(19)4-9)15-13-14(22)12(6-20)16(23)26-17(13)27-18(25-15)24-8-21/h3-5,15H,7H2,1-2H3,(H6,22,23,24,25,26,27).
What are the key properties of [5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide?
[5,7-diamino-6-cyano-4-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide has a molecular weight of 379.40 g/mol, XLogP of 1.26, 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-[3-[(dimethylamino)methyl]-5-fluorophenyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 169380818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).