4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine

C13H14ClN3 — CID 54898230

IUPAC4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine
SMILESCCc1c(C)nc(Cc2ccccn2)nc1Cl
InChIInChI=1S/C13H14ClN3/c1-3-11-9(2)16-12(17-13(11)14)8-10-6-4-5-7-15-10/h4-7H,3,8H2,1-2H3
InChIKeyYCCSBUHCXWCPOB-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.99
Rot. Bonds3

About 4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine

4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine (PubChem CID 54898230) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine
PubChem CID54898230
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine
SMILESCCc1c(C)nc(Cc2ccccn2)nc1Cl
InChIInChI=1S/C13H14ClN3/c1-3-11-9(2)16-12(17-13(11)14)8-10-6-4-5-7-15-10/h4-7H,3,8H2,1-2H3
InChIKeyYCCSBUHCXWCPOB-UHFFFAOYSA-N
XLogP2.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine
CID 54898228
5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 66292535
N-[2-[4,6-dimethyl-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-2-amine
CID 62745110
2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637400
ethyl 4-chloro-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 114213761
6-methyl-5-propan-2-yl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55130882
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489
N-methyl-1-[4-methyl-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62769957
6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281
2-ethylpyridine;sulfane
CID 67363352
ethane;2-ethylpyridine
CID 91102000
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 4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine (CID 54898230) is 4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine is CCc1c(C)nc(Cc2ccccn2)nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine?
The InChIKey is YCCSBUHCXWCPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-3-11-9(2)16-12(17-13(11)14)8-10-6-4-5-7-15-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine?
4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine has a molecular weight of 247.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine is sourced from PubChem (CID 54898230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).