2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine

C11H14N4 — CID 145049102

IUPAC2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCc1nccc(-c2cncn2C(C)C)n1
InChIInChI=1S/C11H14N4/c1-8(2)15-7-12-6-11(15)10-4-5-13-9(3)14-10/h4-8H,1-3H3
InChIKeyYBEBIRVFTQCJRB-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.23
Rot. Bonds2

About 2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine

2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine (PubChem CID 145049102) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine
PubChem CID145049102
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCc1nccc(-c2cncn2C(C)C)n1
InChIInChI=1S/C11H14N4/c1-8(2)15-7-12-6-11(15)10-4-5-13-9(3)14-10/h4-8H,1-3H3
InChIKeyYBEBIRVFTQCJRB-UHFFFAOYSA-N
XLogP2.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine (CID 145049102) is 2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine is Cc1nccc(-c2cncn2C(C)C)n1.
What is the InChIKey of 2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The InChIKey is YBEBIRVFTQCJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8(2)15-7-12-6-11(15)10-4-5-13-9(3)14-10/h4-8H,1-3H3.
What are the key properties of 2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine?
2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine has a molecular weight of 202.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-propan-2-ylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 145049102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).