4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine

C11H13BrN4 — CID 103132013

IUPAC4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine
SMILESCCCc1nc(Br)cc(-c2ccn(C)n2)n1
InChIInChI=1S/C11H13BrN4/c1-3-4-11-13-9(7-10(12)14-11)8-5-6-16(2)15-8/h5-7H,3-4H2,1-2H3
InChIKeyZNELOELNXDWLKE-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.59
Rot. Bonds3

About 4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine

4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine (PubChem CID 103132013) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine
PubChem CID103132013
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine
SMILESCCCc1nc(Br)cc(-c2ccn(C)n2)n1
InChIInChI=1S/C11H13BrN4/c1-3-4-11-13-9(7-10(12)14-11)8-5-6-16(2)15-8/h5-7H,3-4H2,1-2H3
InChIKeyZNELOELNXDWLKE-UHFFFAOYSA-N
XLogP2.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine
CID 103132012
6-(1-methylpyrazol-3-yl)-2-propylpyrimidin-4-amine
CID 103132092
4-bromo-6-(2-phenylpyrazol-3-yl)-2-propylpyrimidine
CID 107331323
4-bromo-6-(2-chloro-5-fluorophenyl)-2-propylpyrimidine
CID 105395993
2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 103132094
5-methyl-6-(1-methylpyrazol-3-yl)-N,2-dipropylpyrimidin-4-amine
CID 103132116
1-ethyl-3-(1-methylpyrazol-3-yl)pyrazole
CID 175388618
4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine
CID 103132027
2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine
CID 178078429
6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874984
2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine
CID 146020711
5-bromo-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 66301653

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine?
The IUPAC name of 4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine (CID 103132013) is 4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine.
What is the SMILES notation for 4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine?
The canonical SMILES for 4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine is CCCc1nc(Br)cc(-c2ccn(C)n2)n1.
What is the InChIKey of 4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine?
The InChIKey is ZNELOELNXDWLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-3-4-11-13-9(7-10(12)14-11)8-5-6-16(2)15-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine?
4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine has a molecular weight of 281.16 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine is sourced from PubChem (CID 103132013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).