4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine

C10H11BrN4 — CID 103132012

IUPAC4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine
SMILESCCc1nc(Br)cc(-c2ccn(C)n2)n1
InChIInChI=1S/C10H11BrN4/c1-3-10-12-8(6-9(11)13-10)7-4-5-15(2)14-7/h4-6H,3H2,1-2H3
InChIKeyMYDOMIORNPYEOQ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.20
Rot. Bonds2

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

4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine (PubChem CID 103132012) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine
PubChem CID103132012
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine
SMILESCCc1nc(Br)cc(-c2ccn(C)n2)n1
InChIInChI=1S/C10H11BrN4/c1-3-10-12-8(6-9(11)13-10)7-4-5-15(2)14-7/h4-6H,3H2,1-2H3
InChIKeyMYDOMIORNPYEOQ-UHFFFAOYSA-N
XLogP2.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-6-(1-methylpyrazol-3-yl)-2-propylpyrimidine
CID 103132013
6-(1-methylpyrazol-3-yl)-2-propylpyrimidin-4-amine
CID 103132092
2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 103132094
1-ethyl-3-(1-methylpyrazol-3-yl)pyrazole
CID 175388618
6-bromo-2-ethylpyrimidin-4-amine
CID 45094626
4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine
CID 103132027
2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine
CID 178078429
2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine
CID 146020711
3-ethyl-1-methylpyrazole;propane
CID 170573719
2-ethyl-4-(1-methylpyrazol-3-yl)aniline
CID 103131564
5-[(6-bromo-2-ethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107201844
4-methyl-2-(1-methylpyrazol-3-yl)pyridine
CID 130225331

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine?
The IUPAC name of 4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine (CID 103132012) is 4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine is CCc1nc(Br)cc(-c2ccn(C)n2)n1.
What is the InChIKey of 4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine?
The InChIKey is MYDOMIORNPYEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-3-10-12-8(6-9(11)13-10)7-4-5-15(2)14-7/h4-6H,3H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine?
4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine has a molecular weight of 267.13 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 103132012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).