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

C10H16ClN3O — CID 114582101

IUPAC6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
SMILESCCN(CC)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H16ClN3O/c1-3-13(4-2)5-6-14-8-12-9(11)7-10(14)15/h7-8H,3-6H2,1-2H3
InChIKeySMCARBZTFUSGAZ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.24
Rot. Bonds5

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

6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one (PubChem CID 114582101) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
PubChem CID114582101
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
SMILESCCN(CC)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C10H16ClN3O/c1-3-13(4-2)5-6-14-8-12-9(11)7-10(14)15/h7-8H,3-6H2,1-2H3
InChIKeySMCARBZTFUSGAZ-UHFFFAOYSA-N
XLogP1.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[2-(diethylamino)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-(2-fluoroethyl)pyrimidin-4-one
CID 114582310
6-Chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582396
6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
6-Chloro-3-isopropylpyrimidin-4(3h)-one
CID 114582242
2,6-Dichloro-3-ethyl-4(3h)-pyrimidinone
CID 118483166
Ethane;3-ethylpyrimidin-4-one
CID 143577505
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
6-Chloro-3-(2-methylpropyl)pyrimidin-4-one
CID 112547284
6-Chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
CID 113604152
6-Chloro-3-[2-(diethylamino)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 113604599
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 114581631
6-Chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one
CID 114581675

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one (CID 114582101) is 6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one is CCN(CC)CCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
The InChIKey is SMCARBZTFUSGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-3-13(4-2)5-6-14-8-12-9(11)7-10(14)15/h7-8H,3-6H2,1-2H3.
What are the key properties of 6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one?
6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one has a molecular weight of 229.71 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).