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

C11H18ClN3O — CID 114581675

IUPAC6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one
SMILESCCN(CC)CCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H18ClN3O/c1-4-14(5-2)6-7-15-9(3)13-10(12)8-11(15)16/h8H,4-7H2,1-3H3
InChIKeyWUTDDVBOTNCBLU-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.55
Rot. Bonds5

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

6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one (PubChem CID 114581675) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one
PubChem CID114581675
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one
SMILESCCN(CC)CCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C11H18ClN3O/c1-4-14(5-2)6-7-15-9(3)13-10(12)8-11(15)16/h8H,4-7H2,1-3H3
InChIKeyWUTDDVBOTNCBLU-UHFFFAOYSA-N
XLogP1.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-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 6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one (CID 114581675) is 6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one is CCN(CC)CCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one?
The InChIKey is WUTDDVBOTNCBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-14(5-2)6-7-15-9(3)13-10(12)8-11(15)16/h8H,4-7H2,1-3H3.
What are the key properties of 6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one?
6-chloro-3-[2-(diethylamino)ethyl]-2-methylpyrimidin-4-one has a molecular weight of 243.74 g/mol, XLogP of 1.55, 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]-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).