6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one

C10H16ClN3O — CID 114581993

IUPAC6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCCN(C)C
InChIInChI=1S/C10H16ClN3O/c1-8-12-9(11)7-10(15)14(8)6-4-5-13(2)3/h7H,4-6H2,1-3H3
InChIKeyDYBQYJHYBWGHDP-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.16
Rot. Bonds4

About 6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one

6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one (PubChem CID 114581993) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one
PubChem CID114581993
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCCN(C)C
InChIInChI=1S/C10H16ClN3O/c1-8-12-9(11)7-10(15)14(8)6-4-5-13(2)3/h7H,4-6H2,1-3H3
InChIKeyDYBQYJHYBWGHDP-UHFFFAOYSA-N
XLogP1.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824
6-chloro-2-methyl-3-pent-4-enylpyrimidin-4-one
CID 114581760
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114581852
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114581924
6-chloro-3-(2-ethylbutyl)-2-methylpyrimidin-4-one
CID 114582003
6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
6-chloro-2-methyl-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 114581731
6-chloro-2-methyl-3-(2-phenylsulfanylethyl)pyrimidin-4-one
CID 114581831
6-chloro-2-methyl-3-(2-thiophen-3-ylethyl)pyrimidin-4-one
CID 114581948
6-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpyrimidin-4-one
CID 114581635
6-chloro-3-[(4-iodophenyl)methyl]-2-methylpyrimidin-4-one
CID 114581841

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one (CID 114581993) is 6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCCN(C)C.
What is the InChIKey of 6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one?
The InChIKey is DYBQYJHYBWGHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-8-12-9(11)7-10(15)14(8)6-4-5-13(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one?
6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one has a molecular weight of 229.71 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).