4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine

C12H15ClN4 — CID 80975109

IUPAC4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(-c2nccn2CC)n1
InChIInChI=1S/C12H15ClN4/c1-4-9-15-10(8(3)11(13)16-9)12-14-6-7-17(12)5-2/h6-7H,4-5H2,1-3H3
InChIKeyZWCHVKBFJCENQT-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.88
Rot. Bonds3

About 4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine

4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine (PubChem CID 80975109) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine
PubChem CID80975109
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(-c2nccn2CC)n1
InChIInChI=1S/C12H15ClN4/c1-4-9-15-10(8(3)11(13)16-9)12-14-6-7-17(12)5-2/h6-7H,4-5H2,1-3H3
InChIKeyZWCHVKBFJCENQT-UHFFFAOYSA-N
XLogP2.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-(1-ethylimidazol-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80977310
2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine
CID 79079771
N-ethyl-6-(1-ethylimidazol-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80976649
6-(1-ethylimidazol-2-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80974842
4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine
CID 80974653
4-chloro-2-ethyl-6-(1-ethylpyrazol-4-yl)-5-methylpyrimidine
CID 80975287
4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine
CID 80975474
6-chloro-2-ethyl-5-methyl-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]pyrimidin-4-amine
CID 133351114
4-chloro-5-(1-ethylimidazol-2-yl)pyrimidine
CID 105371207
4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945
4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine
CID 80936041
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine (CID 80975109) is 4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine is CCc1nc(Cl)c(C)c(-c2nccn2CC)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine?
The InChIKey is ZWCHVKBFJCENQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-4-9-15-10(8(3)11(13)16-9)12-14-6-7-17(12)5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine?
4-chloro-2-ethyl-6-(1-ethylimidazol-2-yl)-5-methylpyrimidine has a molecular weight of 250.73 g/mol, XLogP of 2.88, 3 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-ethylimidazol-2-yl)-5-methylpyrimidine is sourced from PubChem (CID 80975109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).