5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine

C13H11BrClN3 — CID 66294333

IUPAC5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine
SMILESClc1nc(Cc2ccncc2)nc(C2CC2)c1Br
InChIInChI=1S/C13H11BrClN3/c14-11-12(9-1-2-9)17-10(18-13(11)15)7-8-3-5-16-6-4-8/h3-6,9H,1-2,7H2
InChIKeyWMYWJDHYXGLREK-UHFFFAOYSA-N
MW324.61 g/mol
LogP3.76
Rot. Bonds3

About 5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine

5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine (PubChem CID 66294333) has the molecular formula C13H11BrClN3 and a molecular weight of 324.61 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine
PubChem CID66294333
Molecular FormulaC13H11BrClN3
Molecular Weight324.61 g/mol
Exact Mass322.98
IUPAC Name5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine
SMILESClc1nc(Cc2ccncc2)nc(C2CC2)c1Br
InChIInChI=1S/C13H11BrClN3/c14-11-12(9-1-2-9)17-10(18-13(11)15)7-8-3-5-16-6-4-8/h3-6,9H,1-2,7H2
InChIKeyWMYWJDHYXGLREK-UHFFFAOYSA-N
XLogP3.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine
CID 66293927
5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine
CID 66293928
5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
CID 66303346
6-cyclopropyl-5-iodo-N-methyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66301547
5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301705
2-[(3-bromophenyl)methyl]-4-chloro-6-cyclopropyl-5-iodopyrimidine
CID 66293895
2-[(2-bromophenyl)methyl]-4-chloro-6-cyclopropyl-5-iodopyrimidine
CID 66293290
5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 66311908
4-chloro-6-cyclopropyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidine
CID 66292286
ethyl 4-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylate
CID 102973159
5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66302748
2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine
CID 55203028

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine (CID 66294333) is 5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine is Clc1nc(Cc2ccncc2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine?
The InChIKey is WMYWJDHYXGLREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3/c14-11-12(9-1-2-9)17-10(18-13(11)15)7-8-3-5-16-6-4-8/h3-6,9H,1-2,7H2.
What are the key properties of 5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine?
5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine has a molecular weight of 324.61 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine is sourced from PubChem (CID 66294333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).