5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one

C9H13Cl2N3O — CID 114583286

IUPAC5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one
SMILESCN(C)CCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H13Cl2N3O/c1-13(2)4-3-5-14-6-12-8(11)7(10)9(14)15/h6H,3-5H2,1-2H3
InChIKeyHFUBYOKBFPNBRF-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.50
Rot. Bonds4

About 5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one

5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one (PubChem CID 114583286) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is 5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one
PubChem CID114583286
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC Name5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one
SMILESCN(C)CCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H13Cl2N3O/c1-13(2)4-3-5-14-6-12-8(11)7(10)9(14)15/h6H,3-5H2,1-2H3
InChIKeyHFUBYOKBFPNBRF-UHFFFAOYSA-N
XLogP1.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-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 5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one (CID 114583286) is 5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one is CN(C)CCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one?
The InChIKey is HFUBYOKBFPNBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O/c1-13(2)4-3-5-14-6-12-8(11)7(10)9(14)15/h6H,3-5H2,1-2H3.
What are the key properties of 5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one?
5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one has a molecular weight of 250.13 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[3-(dimethylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 114583286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).