5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine

C12H15BrN6 — CID 53466962

IUPAC5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
SMILESNc1nc(-n2cccn2)nc(NC2CCCC2)c1Br
InChIInChI=1S/C12H15BrN6/c13-9-10(14)17-12(19-7-3-6-15-19)18-11(9)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,16,17,18)
InChIKeyCQMIUDXRCZBOOY-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.36
Rot. Bonds3

About 5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine

5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine (PubChem CID 53466962) has the molecular formula C12H15BrN6 and a molecular weight of 323.20 g/mol. Its IUPAC name is 5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
PubChem CID53466962
Molecular FormulaC12H15BrN6
Molecular Weight323.20 g/mol
Exact Mass322.05
IUPAC Name5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
SMILESNc1nc(-n2cccn2)nc(NC2CCCC2)c1Br
InChIInChI=1S/C12H15BrN6/c13-9-10(14)17-12(19-7-3-6-15-19)18-11(9)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,16,17,18)
InChIKeyCQMIUDXRCZBOOY-UHFFFAOYSA-N
XLogP2.36
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Taminadenant
CID 53466958
5-Bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 53466961
5-Bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine
CID 53467179
5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467182
6-(Azetidin-1-yl)-5-bromo-2-pyrazol-1-ylpyrimidin-4-amine
CID 53467183
5-bromo-4-N-cyclobutyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467184
5-bromo-4-N,4-N-dimethyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467187
5-bromo-4-N-methyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467620
5-bromo-4-N-(cyclopropylmethyl)-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467625
6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 10749494
1-Propan-2-yl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134141571
1-Cyclohexyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134156810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine (CID 53466962) is 5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine is Nc1nc(-n2cccn2)nc(NC2CCCC2)c1Br.
What is the InChIKey of 5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
The InChIKey is CQMIUDXRCZBOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN6/c13-9-10(14)17-12(19-7-3-6-15-19)18-11(9)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,16,17,18).
What are the key properties of 5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine?
5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine has a molecular weight of 323.20 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 53466962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).