4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine

C13H17ClN4 — CID 79737955

IUPAC4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine
SMILESCCn1ccnc1Cc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C13H17ClN4/c1-4-18-6-5-15-11(18)7-10-12(9(2)3)13(14)17-8-16-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyCSSCUUIFJWMBOB-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.06
Rot. Bonds4

About 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine

4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine (PubChem CID 79737955) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine
PubChem CID79737955
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine
SMILESCCn1ccnc1Cc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C13H17ClN4/c1-4-18-6-5-15-11(18)7-10-12(9(2)3)13(14)17-8-16-10/h5-6,8-9H,4,7H2,1-3H3
InChIKeyCSSCUUIFJWMBOB-UHFFFAOYSA-N
XLogP3.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-6-[(1-ethylimidazol-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 79738464
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
2-[(1-ethylimidazol-2-yl)methyl]pyridin-3-ol
CID 83129951
4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine
CID 79738348
2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine
CID 79739014
4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine
CID 79737968
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
CID 79738337
2-(3-bromobutyl)-1-ethylimidazole
CID 64509820
6-chloro-N-(2,2-dimethylbutyl)-5-propan-2-ylpyrimidin-4-amine
CID 103463567
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine (CID 79737955) is 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine is CCn1ccnc1Cc1ncnc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine?
The InChIKey is CSSCUUIFJWMBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-4-18-6-5-15-11(18)7-10-12(9(2)3)13(14)17-8-16-10/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine?
4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-5-propan-2-ylpyrimidine has a molecular weight of 264.76 g/mol, XLogP of 3.06, 4 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]-5-propan-2-ylpyrimidine is sourced from PubChem (CID 79737955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).