2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine

C9H12N4 — CID 140820604

IUPAC2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine
SMILESCc1ncc(N2C=CN(C)C2)cn1
InChIInChI=1S/C9H12N4/c1-8-10-5-9(6-11-8)13-4-3-12(2)7-13/h3-6H,7H2,1-2H3
InChIKeySJGOWKHGTHCURN-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.97
Rot. Bonds1

About 2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine

2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine (PubChem CID 140820604) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine
PubChem CID140820604
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine
SMILESCc1ncc(N2C=CN(C)C2)cn1
InChIInChI=1S/C9H12N4/c1-8-10-5-9(6-11-8)13-4-3-12(2)7-13/h3-6H,7H2,1-2H3
InChIKeySJGOWKHGTHCURN-UHFFFAOYSA-N
XLogP0.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine?
The IUPAC name of 2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine (CID 140820604) is 2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine.
What is the SMILES notation for 2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine?
The canonical SMILES for 2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine is Cc1ncc(N2C=CN(C)C2)cn1.
What is the InChIKey of 2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine?
The InChIKey is SJGOWKHGTHCURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-8-10-5-9(6-11-8)13-4-3-12(2)7-13/h3-6H,7H2,1-2H3.
What are the key properties of 2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine?
2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine has a molecular weight of 176.22 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-2H-imidazol-1-yl)pyrimidine is sourced from PubChem (CID 140820604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).