2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile

C14H10FN5O2 — CID 135440796

IUPAC2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1C(=O)Nc2nc(N)[nH]c(=O)c2C1c1ccc(F)cc1
InChIInChI=1S/C14H10FN5O2/c15-7-3-1-6(2-4-7)9-8(5-16)12(21)18-11-10(9)13(22)20-14(17)19-11/h1-4,8-9H,(H4,17,18,19,20,21,22)
InChIKeyJXCDVECPYOJMPZ-UHFFFAOYSA-N
MW299.27 g/mol
LogP0.71
Rot. Bonds1

About 2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile

2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 135440796) has the molecular formula C14H10FN5O2 and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID135440796
Molecular FormulaC14H10FN5O2
Molecular Weight299.27 g/mol
Exact Mass299.08
IUPAC Name2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1C(=O)Nc2nc(N)[nH]c(=O)c2C1c1ccc(F)cc1
InChIInChI=1S/C14H10FN5O2/c15-7-3-1-6(2-4-7)9-8(5-16)12(21)18-11-10(9)13(22)20-14(17)19-11/h1-4,8-9H,(H4,17,18,19,20,21,22)
InChIKeyJXCDVECPYOJMPZ-UHFFFAOYSA-N
XLogP0.71
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-Amino-5-(3-fluorophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134143335
7-amino-5-(4-fluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134145910
7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134156014
5-(4-fluorophenyl)-4-hydroxy-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135439631
2-Amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505636
2-Amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505648
2-Amino-5-(3-ethylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550466
2-Amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550471
2-(methylsulfanyl)-5-[4-(trifluoromethyl)phenyl]-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135439665
7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134153755
5-(2,4-Difluorophenyl)-2-(propylsulfanyl)-3H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 135546800
7-amino-5-(3-fluorophenyl)-2,4-dihydroxy-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 2838846

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile (CID 135440796) is 2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile is N#CC1C(=O)Nc2nc(N)[nH]c(=O)c2C1c1ccc(F)cc1.
What is the InChIKey of 2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is JXCDVECPYOJMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O2/c15-7-3-1-6(2-4-7)9-8(5-16)12(21)18-11-10(9)13(22)20-14(17)19-11/h1-4,8-9H,(H4,17,18,19,20,21,22).
What are the key properties of 2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile?
2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 299.27 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluorophenyl)-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 135440796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).