1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one

C9H12N4O — CID 115370501

IUPAC1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
SMILESCc1nccc(CN2CCNC2=O)n1
InChIInChI=1S/C9H12N4O/c1-7-10-3-2-8(12-7)6-13-5-4-11-9(13)14/h2-3H,4-6H2,1H3,(H,11,14)
InChIKeyQOPLBJNKMJDFGF-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.31
Rot. Bonds2

About 1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one

1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one (PubChem CID 115370501) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
PubChem CID115370501
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
SMILESCc1nccc(CN2CCNC2=O)n1
InChIInChI=1S/C9H12N4O/c1-7-10-3-2-8(12-7)6-13-5-4-11-9(13)14/h2-3H,4-6H2,1H3,(H,11,14)
InChIKeyQOPLBJNKMJDFGF-UHFFFAOYSA-N
XLogP0.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one (CID 115370501) is 1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one is Cc1nccc(CN2CCNC2=O)n1.
What is the InChIKey of 1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one?
The InChIKey is QOPLBJNKMJDFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7-10-3-2-8(12-7)6-13-5-4-11-9(13)14/h2-3H,4-6H2,1H3,(H,11,14).
What are the key properties of 1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one?
1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 115370501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).