6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine

C18H13BrN4S — CID 10157625

IUPAC6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3cccs3)c(Cc3cccc(Br)c3)cc12
InChIInChI=1S/C18H13BrN4S/c19-13-4-1-3-11(8-13)7-12-9-14-17(20)21-10-22-18(14)23-16(12)15-5-2-6-24-15/h1-6,8-10H,7H2,(H2,20,21,22,23)
InChIKeyUIERGJMSJNOJMO-UHFFFAOYSA-N
MW397.30 g/mol
LogP4.69
Rot. Bonds3

About 6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine

6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10157625) has the molecular formula C18H13BrN4S and a molecular weight of 397.30 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID10157625
Molecular FormulaC18H13BrN4S
Molecular Weight397.30 g/mol
Exact Mass396.00
IUPAC Name6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3cccs3)c(Cc3cccc(Br)c3)cc12
InChIInChI=1S/C18H13BrN4S/c19-13-4-1-3-11(8-13)7-12-9-14-17(20)21-10-22-18(14)23-16(12)15-5-2-6-24-15/h1-6,8-10H,7H2,(H2,20,21,22,23)
InChIKeyUIERGJMSJNOJMO-UHFFFAOYSA-N
XLogP4.69
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Bis-(3-fluoro-4-methyl-phenyl)-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11224573
5,6-Diphenyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11234357
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
7-Thiophen-3-yl-6-p-tolyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9880031
6-Butyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9900478
7-Thiophen-2-yl-6-p-tolyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9966768
5-(4-Bromo-thiophen-2-yl)-6-cyclopropyl-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11190539
5-(3-Bromo-phenyl)-7-(6-thiomorpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305632
[4-Amino-5-(3-bromo-phenyl)-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-6-yl]-acetic acid methyl ester
CID 44366104
6-(3-Bromo-benzyl)-7-thiazol-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44399127
5,7-Dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531531
N''-{6-bromo-2-[(E)-2-(2-thienyl)vinyl]quinazolin-4-yl}-N,N-dimethylpropane-1,3-diamine
CID 121453148

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine (CID 10157625) is 6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3cccs3)c(Cc3cccc(Br)c3)cc12.
What is the InChIKey of 6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is UIERGJMSJNOJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4S/c19-13-4-1-3-11(8-13)7-12-9-14-17(20)21-10-22-18(14)23-16(12)15-5-2-6-24-15/h1-6,8-10H,7H2,(H2,20,21,22,23).
What are the key properties of 6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 397.30 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methyl]-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10157625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).