7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile

C14H10BrN5O2 — CID 6494205

IUPAC7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN5O2/c15-7-3-1-6(2-4-7)9-8(5-16)11(17)18-12-10(9)13(21)20-14(22)19-12/h1-4,9H,17H2,(H3,18,19,20,21,22)
InChIKeyJPADETQXMCODCI-UHFFFAOYSA-N
MW360.17 g/mol
LogP1.08
Rot. Bonds1

About 7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile

7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 6494205) has the molecular formula C14H10BrN5O2 and a molecular weight of 360.17 g/mol. Its IUPAC name is 7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID6494205
Molecular FormulaC14H10BrN5O2
Molecular Weight360.17 g/mol
Exact Mass359.00
IUPAC Name7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN5O2/c15-7-3-1-6(2-4-7)9-8(5-16)11(17)18-12-10(9)13(21)20-14(22)19-12/h1-4,9H,17H2,(H3,18,19,20,21,22)
InChIKeyJPADETQXMCODCI-UHFFFAOYSA-N
XLogP1.08
TPSA127.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile with MolForge

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Related Compounds

5-(4-Bromophenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 497025
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-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
2,4,7-Trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134152033
7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134153755
7-Amino-5-(4-bromophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1h-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 5181287
7-amino-2,4-dioxo-5-phenyl-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 2837625
7-Amino-5-(3-bromophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2h-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 3568311
Sodium 5-[(4-bromophenyl)-cyanomethyl]-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
CID 145949376
sodium 5-[(4-bromophenyl)-cyanomethyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate
CID 145958499

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 6494205) is 7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile is N#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(Br)cc1.
What is the InChIKey of 7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is JPADETQXMCODCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5O2/c15-7-3-1-6(2-4-7)9-8(5-16)11(17)18-12-10(9)13(21)20-14(22)19-12/h1-4,9H,17H2,(H3,18,19,20,21,22).
What are the key properties of 7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 360.17 g/mol, XLogP of 1.08, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(4-bromophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 6494205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).