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

C14H8BrN5O2 — CID 5493614

IUPAC7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1c(N)nc2[nH]c(=O)[nH]c(=O)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C14H8BrN5O2/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/h1-4H,(H4,17,18,19,20,21,22)
InChIKeyNLPQXLRZNAPQQG-UHFFFAOYSA-N
MW358.16 g/mol
LogP1.49
Rot. Bonds1

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

7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 5493614) has the molecular formula C14H8BrN5O2 and a molecular weight of 358.16 g/mol. Its IUPAC name is 7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID5493614
Molecular FormulaC14H8BrN5O2
Molecular Weight358.16 g/mol
Exact Mass356.99
IUPAC Name7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1c(N)nc2[nH]c(=O)[nH]c(=O)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C14H8BrN5O2/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/h1-4H,(H4,17,18,19,20,21,22)
InChIKeyNLPQXLRZNAPQQG-UHFFFAOYSA-N
XLogP1.49
TPSA128.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-Amino-6-(Aminomethyl)-5-(2-Bromophenyl)-1,3-Dimethylpyrido[2,3-D]pyrimidine-2,4(1h,3h)-Dione
CID 11632502
2-[7-Amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile
CID 11544575
7-Amino-6-(aminomethyl)-5-(4-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11581890
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-(methylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 11589872
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11597271
7-Amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11640120
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11719625
7-Amino-5-(3-bromophenyl)-1,3-dimethyl-2,4-dioxo-1,3-dihydropyridino[2,3-d]pyr imidine-6-carbonitrile
CID 986880
5-(4-bromophenyl)-2,4-dihydroxy-8,8-dimethyl-8,9-dihydropyrimido[4,5-b]quinolin-6(7H)-one
CID 5428827
7-amino-5-(4-chlorophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 5493645
[7-Amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium
CID 78225434
1-[5-(4-bromophenyl)-6-cyano-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-7-yl]-3-phenyl-thiourea
CID 5493620

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 5493614) is 7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile is N#Cc1c(N)nc2[nH]c(=O)[nH]c(=O)c2c1-c1ccc(Br)cc1.
What is the InChIKey of 7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is NLPQXLRZNAPQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN5O2/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/h1-4H,(H4,17,18,19,20,21,22).
What are the key properties of 7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(4-bromophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 358.16 g/mol, XLogP of 1.49, 1 rotatable bonds, 3 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-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 5493614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).