4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine

C13H17ClN4 — CID 66130304

IUPAC4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCCc1nc(-c2cncn2C(C)C)nc(Cl)c1C
InChIInChI=1S/C13H17ClN4/c1-5-10-9(4)12(14)17-13(16-10)11-6-15-7-18(11)8(2)3/h6-8H,5H2,1-4H3
InChIKeyWVGXUQZNDUSQQG-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.45
Rot. Bonds3

About 4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine

4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine (PubChem CID 66130304) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
PubChem CID66130304
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCCc1nc(-c2cncn2C(C)C)nc(Cl)c1C
InChIInChI=1S/C13H17ClN4/c1-5-10-9(4)12(14)17-13(16-10)11-6-15-7-18(11)8(2)3/h6-8H,5H2,1-4H3
InChIKeyWVGXUQZNDUSQQG-UHFFFAOYSA-N
XLogP3.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine (CID 66130304) is 4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine is CCc1nc(-c2cncn2C(C)C)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The InChIKey is WVGXUQZNDUSQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-5-10-9(4)12(14)17-13(16-10)11-6-15-7-18(11)8(2)3/h6-8H,5H2,1-4H3.
What are the key properties of 4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine has a molecular weight of 264.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-methyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66130304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).