2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine

C11H13BrN4 — CID 130056125

IUPAC2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine
SMILESCc1cn(-c2cc(C(C)C)nc(Br)n2)cn1
InChIInChI=1S/C11H13BrN4/c1-7(2)9-4-10(15-11(12)14-9)16-5-8(3)13-6-16/h4-7H,1-3H3
InChIKeyHKUKJCOPWPJEOD-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.86
Rot. Bonds2

About 2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine

2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine (PubChem CID 130056125) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine
PubChem CID130056125
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine
SMILESCc1cn(-c2cc(C(C)C)nc(Br)n2)cn1
InChIInChI=1S/C11H13BrN4/c1-7(2)9-4-10(15-11(12)14-9)16-5-8(3)13-6-16/h4-7H,1-3H3
InChIKeyHKUKJCOPWPJEOD-UHFFFAOYSA-N
XLogP2.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Imidazol-1-yl-4,6-dimethylpyrimidine
CID 11206064
N,N-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 73439395
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56704039
4-cyclobutyl-6-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}pyrimidine
CID 56873336
4-cyclobutyl-N,6-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-2-amine
CID 56881049
6-cyclopropyl-N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 72916098
4-Methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 73439388
2-(4-Pyrimidin-4-ylpiperidin-1-yl)pyrazine
CID 95817336
4,6-Dimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828207
2-[4-(6-Imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829316
2,4-Dimethyl-7-[(1-methylimidazol-2-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97515567

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine?
The IUPAC name of 2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine (CID 130056125) is 2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine is Cc1cn(-c2cc(C(C)C)nc(Br)n2)cn1.
What is the InChIKey of 2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine?
The InChIKey is HKUKJCOPWPJEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-7(2)9-4-10(15-11(12)14-9)16-5-8(3)13-6-16/h4-7H,1-3H3.
What are the key properties of 2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine?
2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine has a molecular weight of 281.16 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-methylimidazol-1-yl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 130056125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).