4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine

C13H14ClN3 — CID 80975474

IUPAC4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine
SMILESCCc1nc(Cl)c(C)c(-c2ccncc2C)n1
InChIInChI=1S/C13H14ClN3/c1-4-11-16-12(9(3)13(14)17-11)10-5-6-15-7-8(10)2/h5-7H,4H2,1-3H3
InChIKeyGCPCHBQKWYWTRO-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.37
Rot. Bonds2

About 4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine

4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine (PubChem CID 80975474) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine
PubChem CID80975474
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine
SMILESCCc1nc(Cl)c(C)c(-c2ccncc2C)n1
InChIInChI=1S/C13H14ClN3/c1-4-11-16-12(9(3)13(14)17-11)10-5-6-15-7-8(10)2/h5-7H,4H2,1-3H3
InChIKeyGCPCHBQKWYWTRO-UHFFFAOYSA-N
XLogP3.37
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,3-dimethylphenyl)-2-ethyl-5-methylpyrimidine
CID 80975385
4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine
CID 104739134
4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine
CID 80974653
5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline
CID 80970017
2,3,5-trichloro-6-(3-methyl-4-pyridinyl)pyridine
CID 102752617
4-chloro-2-ethyl-6-(4-methoxyphenyl)-5-methylpyrimidine
CID 80975849
N,2-diethyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-amine
CID 80935529
2-chloro-6-methyl-3-(3-methyl-4-pyridinyl)pyridine
CID 175089483
4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine
CID 80975109
2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine
CID 103144327
4-chloro-2-ethyl-6-(1-ethylpyrazol-4-yl)-5-methylpyrimidine
CID 80975287
4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine (CID 80975474) is 4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine is CCc1nc(Cl)c(C)c(-c2ccncc2C)n1.
What is the InChIKey of 4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine?
The InChIKey is GCPCHBQKWYWTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-4-11-16-12(9(3)13(14)17-11)10-5-6-15-7-8(10)2/h5-7H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine?
4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine has a molecular weight of 247.73 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine is sourced from PubChem (CID 80975474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).