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

C13H14ClN3 — CID 63549133

IUPAC4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine
SMILESCCc1nc(-c2ncccc2C)nc(Cl)c1C
InChIInChI=1S/C13H14ClN3/c1-4-10-9(3)12(14)17-13(16-10)11-8(2)6-5-7-15-11/h5-7H,4H2,1-3H3
InChIKeyWUAFYORCFVDDDJ-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.37
Rot. Bonds2

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

4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine (PubChem CID 63549133) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine
PubChem CID63549133
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine
SMILESCCc1nc(-c2ncccc2C)nc(Cl)c1C
InChIInChI=1S/C13H14ClN3/c1-4-10-9(3)12(14)17-13(16-10)11-8(2)6-5-7-15-11/h5-7H,4H2,1-3H3
InChIKeyWUAFYORCFVDDDJ-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine (CID 63549133) is 4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine is CCc1nc(-c2ncccc2C)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine?
The InChIKey is WUAFYORCFVDDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-4-10-9(3)12(14)17-13(16-10)11-8(2)6-5-7-15-11/h5-7H,4H2,1-3H3.
What are the key properties of 4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine?
4-chloro-6-ethyl-5-methyl-2-(3-methyl-2-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-6-ethyl-5-methyl-2-(3-methyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 63549133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).