4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine

C12H15ClN4 — CID 80936041

IUPAC4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine
SMILESCCCn1ccnc1-c1cc(Cl)nc(CC)n1
InChIInChI=1S/C12H15ClN4/c1-3-6-17-7-5-14-12(17)9-8-10(13)16-11(4-2)15-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyHVBLJIQNLPIBAX-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine

4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine (PubChem CID 80936041) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine
PubChem CID80936041
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine
SMILESCCCn1ccnc1-c1cc(Cl)nc(CC)n1
InChIInChI=1S/C12H15ClN4/c1-3-6-17-7-5-14-12(17)9-8-10(13)16-11(4-2)15-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyHVBLJIQNLPIBAX-UHFFFAOYSA-N
XLogP2.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-chloro-6-(1-ethylimidazol-2-yl)pyrimidine
CID 80952304
4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine
CID 80945789
4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine
CID 80935856
2-chloro-1-propylimidazole
CID 142765750
4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine
CID 80975109
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936719
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine
CID 80936131
4-chloro-2-ethyl-6-(5-methylthiophen-3-yl)pyrimidine
CID 80936398
2-ethyl-5-methyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80976153
4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine
CID 80936573

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine (CID 80936041) is 4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine is CCCn1ccnc1-c1cc(Cl)nc(CC)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine?
The InChIKey is HVBLJIQNLPIBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-3-6-17-7-5-14-12(17)9-8-10(13)16-11(4-2)15-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine?
4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine has a molecular weight of 250.73 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine is sourced from PubChem (CID 80936041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).