6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one

C8H12ClN3O — CID 114582353

IUPAC6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one
SMILESCN(C)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C8H12ClN3O/c1-11(2)3-4-12-6-10-7(9)5-8(12)13/h5-6H,3-4H2,1-2H3
InChIKeyQQCCVPWJSLTGRI-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.46
Rot. Bonds3

About 6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one

6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one (PubChem CID 114582353) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one
PubChem CID114582353
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one
SMILESCN(C)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C8H12ClN3O/c1-11(2)3-4-12-6-10-7(9)5-8(12)13/h5-6H,3-4H2,1-2H3
InChIKeyQQCCVPWJSLTGRI-UHFFFAOYSA-N
XLogP0.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[2-(dimethylamino)ethyl]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

Related Compounds

6-Chloro-3-methylpyrimidin-4(3H)-one
CID 4366471
6-Chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582310
6-Chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582396
Bzdcwuysfgfzbo-uhfffaoysa-
CID 12335023
6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
6-Chloro-3-isopropylpyrimidin-4(3h)-one
CID 114582242
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
2,6-Dichloro-3-ethyl-4(3h)-pyrimidinone
CID 118483166
6-Chloro-2-ethenyl-3-ethylpyrimidin-4-one
CID 118490029
Ethane;3-ethylpyrimidin-4-one
CID 144272357
6-Amino-3-ethylpyrimidin-4-one
CID 55291345
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one (CID 114582353) is 6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one is CN(C)CCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one?
The InChIKey is QQCCVPWJSLTGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-11(2)3-4-12-6-10-7(9)5-8(12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one?
6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one has a molecular weight of 201.66 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(dimethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).