4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine

C13H17ClN4 — CID 66134828

IUPAC4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine
SMILESCCn1cncc1-c1nc(C)c(C(C)C)c(Cl)n1
InChIInChI=1S/C13H17ClN4/c1-5-18-7-15-6-10(18)13-16-9(4)11(8(2)3)12(14)17-13/h6-8H,5H2,1-4H3
InChIKeyYDVUJUIFQKOKDA-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.45
Rot. Bonds3

About 4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine

4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine (PubChem CID 66134828) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine
PubChem CID66134828
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine
SMILESCCn1cncc1-c1nc(C)c(C(C)C)c(Cl)n1
InChIInChI=1S/C13H17ClN4/c1-5-18-7-15-6-10(18)13-16-9(4)11(8(2)3)12(14)17-13/h6-8H,5H2,1-4H3
InChIKeyYDVUJUIFQKOKDA-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-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine (CID 66134828) is 4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine is CCn1cncc1-c1nc(C)c(C(C)C)c(Cl)n1.
What is the InChIKey of 4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine?
The InChIKey is YDVUJUIFQKOKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-5-18-7-15-6-10(18)13-16-9(4)11(8(2)3)12(14)17-13/h6-8H,5H2,1-4H3.
What are the key properties of 4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine?
4-chloro-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine 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-2-(3-ethylimidazol-4-yl)-6-methyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 66134828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).