7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

C16H14FN5O2 — CID 154702026

IUPAC7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1cccc(F)c1)C(C#N)=C(N)N2
InChIInChI=1S/C16H14FN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(10(7-18)13(19)20-14)8-4-3-5-9(17)6-8/h3-6,11,20H,19H2,1-2H3
InChIKeyRBNQJENXYIRVMY-UHFFFAOYSA-N
MW327.32 g/mol
LogP0.47
Rot. Bonds1

About 7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 154702026) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID154702026
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1cccc(F)c1)C(C#N)=C(N)N2
InChIInChI=1S/C16H14FN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(10(7-18)13(19)20-14)8-4-3-5-9(17)6-8/h3-6,11,20H,19H2,1-2H3
InChIKeyRBNQJENXYIRVMY-UHFFFAOYSA-N
XLogP0.47
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-1,3-dihydro-5H-pyrano[2,3-d] pyrimidine-6-carbonitrile
CID 2828696
3-((2,4-Dioxo-6-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)benzonitrile
CID 44426787
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 2148457
7-amino-1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 4162643
6-amino-5-[(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(phenyl)methyl]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 4670608
7-Amino-5-(4-bromo-phenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydro-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 6494199
7-amino-5-(3-chloro-4-fluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134132343
5-(3-Fluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134133190
5-(3,4-Difluorophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134136354
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

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (CID 154702026) is 7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is Cn1c2c(c(=O)n(C)c1=O)C(c1cccc(F)c1)C(C#N)=C(N)N2.
What is the InChIKey of 7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is RBNQJENXYIRVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(10(7-18)13(19)20-14)8-4-3-5-9(17)6-8/h3-6,11,20H,19H2,1-2H3.
What are the key properties of 7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 327.32 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 154702026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).