4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine

C12H10BrN3 — CID 112554804

IUPAC4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine
SMILESBrc1cc(-c2cccnc2)nc(C2CC2)n1
InChIInChI=1S/C12H10BrN3/c13-11-6-10(9-2-1-5-14-7-9)15-12(16-11)8-3-4-8/h1-2,5-8H,3-4H2
InChIKeyGQCBYTJQQXJBCT-UHFFFAOYSA-N
MW276.14 g/mol
LogP3.18
Rot. Bonds2

About 4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine

4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine (PubChem CID 112554804) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is 4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine
PubChem CID112554804
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC Name4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine
SMILESBrc1cc(-c2cccnc2)nc(C2CC2)n1
InChIInChI=1S/C12H10BrN3/c13-11-6-10(9-2-1-5-14-7-9)15-12(16-11)8-3-4-8/h1-2,5-8H,3-4H2
InChIKeyGQCBYTJQQXJBCT-UHFFFAOYSA-N
XLogP3.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine
CID 114606618
N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine
CID 116899139
4-cyclopentyl-6-pyridin-3-ylpyridine-2,3-diamine
CID 155102612
4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine
CID 63355064
2,4-diphenyl-6-pyridin-3-ylpyridine
CID 3477432
2,6-dipyridin-3-ylpyridine
CID 13349632
5-bromo-6-cyclopropyl-2-pyridin-3-yl-1H-pyrimidine-4-thione
CID 106480365
3,5-dipyridin-3-yl-1,2-oxazole
CID 14593332
1-[(2S,5R)-2-methyl-5-[4-pyridin-3-yl-6-(pyridin-4-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 166914979
2-[3,5-bis[6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-6-[6-(6-pyridin-3-yl-2-pyridinyl)-2-pyridinyl]pyridine
CID 58090487
6-pyridin-3-ylpyrimidine-2,4-diamine
CID 90189944
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
CID 102345540

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine?
The IUPAC name of 4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine (CID 112554804) is 4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine is Brc1cc(-c2cccnc2)nc(C2CC2)n1.
What is the InChIKey of 4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine?
The InChIKey is GQCBYTJQQXJBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3/c13-11-6-10(9-2-1-5-14-7-9)15-12(16-11)8-3-4-8/h1-2,5-8H,3-4H2.
What are the key properties of 4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine?
4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine has a molecular weight of 276.14 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclopropyl-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 112554804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).