4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine

C11H13ClN4 — CID 79738348

IUPAC4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine
SMILESCCn1ccnc1Cc1cc(Cl)nc(C)n1
InChIInChI=1S/C11H13ClN4/c1-3-16-5-4-13-11(16)7-9-6-10(12)15-8(2)14-9/h4-6H,3,7H2,1-2H3
InChIKeyVGAZKVGDRBSNRA-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.25
Rot. Bonds3

About 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine

4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine (PubChem CID 79738348) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine
PubChem CID79738348
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine
SMILESCCn1ccnc1Cc1cc(Cl)nc(C)n1
InChIInChI=1S/C11H13ClN4/c1-3-16-5-4-13-11(16)7-9-6-10(12)15-8(2)14-9/h4-6H,3,7H2,1-2H3
InChIKeyVGAZKVGDRBSNRA-UHFFFAOYSA-N
XLogP2.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethylpyrimidin-4-amine
CID 79737865
2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine
CID 79739014
N-ethyl-2-methyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79738067
4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine
CID 80945789
[2-chloro-5-[(1-ethylimidazol-2-yl)methyl]phenyl]methanamine
CID 114076779
[2-[(1-ethylimidazol-2-yl)methyl]-4-pyridinyl]hydrazine
CID 102825315
3-chloro-4-[(1-ethylimidazol-2-yl)methyl]aniline
CID 107615879
4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine
CID 80935856
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine
CID 79761192
(6-chloro-2-methylpyrimidin-4-yl)methanamine
CID 83480049

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine (CID 79738348) is 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine is CCn1ccnc1Cc1cc(Cl)nc(C)n1.
What is the InChIKey of 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine?
The InChIKey is VGAZKVGDRBSNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-3-16-5-4-13-11(16)7-9-6-10(12)15-8(2)14-9/h4-6H,3,7H2,1-2H3.
What are the key properties of 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine?
4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine has a molecular weight of 236.71 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine is sourced from PubChem (CID 79738348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).