1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one

C9H11ClN4O — CID 130469670

IUPAC1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one
SMILESCC1(C)CN(c2ccnc(Cl)n2)C(=O)N1
InChIInChI=1S/C9H11ClN4O/c1-9(2)5-14(8(15)13-9)6-3-4-11-7(10)12-6/h3-4H,5H2,1-2H3,(H,13,15)
InChIKeySLDRFWFCXCNQIT-UHFFFAOYSA-N
MW226.67 g/mol
LogP1.44
Rot. Bonds1

About 1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one

1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one (PubChem CID 130469670) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one
PubChem CID130469670
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one
SMILESCC1(C)CN(c2ccnc(Cl)n2)C(=O)N1
InChIInChI=1S/C9H11ClN4O/c1-9(2)5-14(8(15)13-9)6-3-4-11-7(10)12-6/h3-4H,5H2,1-2H3,(H,13,15)
InChIKeySLDRFWFCXCNQIT-UHFFFAOYSA-N
XLogP1.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one 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

3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one
CID 132608317
3-(2-chloropyrimidin-4-yl)-4,4-dimethyl-1,3-oxazolidin-2-one
CID 89489710
but-2-enedioic acid;1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-amine
CID 173318770
1-(2-chloropyrimidin-4-yl)-5-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]
CID 167100384
4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]imidazolidin-2-one
CID 58464156
tert-butyl 3-(2-chloropyrimidin-4-yl)-2-oxoimidazolidine-1-carboxylate
CID 138595647
1-(2-aminophenyl)-4,4-dimethylimidazolidin-2-one
CID 105457673
2,2-dimethyl-1,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 136506115
1-(2-chloropyrimidin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]
CID 167100571
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine
CID 63161724
2-chloro-4-(5-methyltetrazol-1-yl)pyrimidine
CID 118953652

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one (CID 130469670) is 1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one is CC1(C)CN(c2ccnc(Cl)n2)C(=O)N1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one?
The InChIKey is SLDRFWFCXCNQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-9(2)5-14(8(15)13-9)6-3-4-11-7(10)12-6/h3-4H,5H2,1-2H3,(H,13,15).
What are the key properties of 1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one?
1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one has a molecular weight of 226.67 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)-4,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 130469670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).