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

C11H13ClN4 — CID 79739014

IUPAC2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine
SMILESCCn1ccnc1Cc1cc(C)nc(Cl)n1
InChIInChI=1S/C11H13ClN4/c1-3-16-5-4-13-10(16)7-9-6-8(2)14-11(12)15-9/h4-6H,3,7H2,1-2H3
InChIKeyRRJOBVQDJQQENB-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.25
Rot. Bonds3

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

2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine (PubChem CID 79739014) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine
PubChem CID79739014
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine
SMILESCCn1ccnc1Cc1cc(C)nc(Cl)n1
InChIInChI=1S/C11H13ClN4/c1-3-16-5-4-13-10(16)7-9-6-8(2)14-11(12)15-9/h4-6H,3,7H2,1-2H3
InChIKeyRRJOBVQDJQQENB-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine (CID 79739014) is 2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine is CCn1ccnc1Cc1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine?
The InChIKey is RRJOBVQDJQQENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-3-16-5-4-13-10(16)7-9-6-8(2)14-11(12)15-9/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine?
2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-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 2-chloro-4-[(1-ethylimidazol-2-yl)methyl]-6-methylpyrimidine is sourced from PubChem (CID 79739014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).