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

C13H13BrClN3 — CID 66292535

IUPAC5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine
SMILESCCCc1nc(Cc2ccccn2)nc(Cl)c1Br
InChIInChI=1S/C13H13BrClN3/c1-2-5-10-12(14)13(15)18-11(17-10)8-9-6-3-4-7-16-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeySRTHKMSUTGDULS-UHFFFAOYSA-N
MW326.62 g/mol
LogP3.83
Rot. Bonds4

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

5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine (PubChem CID 66292535) has the molecular formula C13H13BrClN3 and a molecular weight of 326.62 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine
PubChem CID66292535
Molecular FormulaC13H13BrClN3
Molecular Weight326.62 g/mol
Exact Mass325.00
IUPAC Name5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine
SMILESCCCc1nc(Cc2ccccn2)nc(Cl)c1Br
InChIInChI=1S/C13H13BrClN3/c1-2-5-10-12(14)13(15)18-11(17-10)8-9-6-3-4-7-16-9/h3-4,6-7H,2,5,8H2,1H3
InChIKeySRTHKMSUTGDULS-UHFFFAOYSA-N
XLogP3.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305558
5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305362
5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine
CID 66293966
4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 54898230
5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66300970
5-bromo-4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-6-propylpyrimidine
CID 66293358
5-bromo-4-chloro-6-propyl-2-(propylsulfanylmethyl)pyrimidine
CID 66292946
5-bromo-4-chloro-2-[(2-chlorophenyl)methyl]-6-ethylpyrimidine
CID 66292376
5-bromo-6-propyl-2-(pyridin-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106479299
6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971182
6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80969977
4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738508

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine (CID 66292535) is 5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine is CCCc1nc(Cc2ccccn2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine?
The InChIKey is SRTHKMSUTGDULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-2-5-10-12(14)13(15)18-11(17-10)8-9-6-3-4-7-16-9/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine?
5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine has a molecular weight of 326.62 g/mol, XLogP of 3.83, 4 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-propyl-2-(pyridin-2-ylmethyl)pyrimidine is sourced from PubChem (CID 66292535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).