1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one

C12H17ClN6O — CID 47420600

IUPAC1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
SMILESNc1nc(Cl)cc(N2CCCC(N3CCNC3=O)C2)n1
InChIInChI=1S/C12H17ClN6O/c13-9-6-10(17-11(14)16-9)18-4-1-2-8(7-18)19-5-3-15-12(19)20/h6,8H,1-5,7H2,(H,15,20)(H2,14,16,17)
InChIKeyVOWBCXJVXCALDM-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.71
Rot. Bonds2

About 1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one

1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 47420600) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
PubChem CID47420600
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one
SMILESNc1nc(Cl)cc(N2CCCC(N3CCNC3=O)C2)n1
InChIInChI=1S/C12H17ClN6O/c13-9-6-10(17-11(14)16-9)18-4-1-2-8(7-18)19-5-3-15-12(19)20/h6,8H,1-5,7H2,(H,15,20)(H2,14,16,17)
InChIKeyVOWBCXJVXCALDM-UHFFFAOYSA-N
XLogP0.71
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one (CID 47420600) is 1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one is Nc1nc(Cl)cc(N2CCCC(N3CCNC3=O)C2)n1.
What is the InChIKey of 1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is VOWBCXJVXCALDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c13-9-6-10(17-11(14)16-9)18-4-1-2-8(7-18)19-5-3-15-12(19)20/h6,8H,1-5,7H2,(H,15,20)(H2,14,16,17).
What are the key properties of 1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one?
1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 296.76 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 47420600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).