6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one

C8H11ClN2O2 — CID 114581683

IUPAC6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(C)O
InChIInChI=1S/C8H11ClN2O2/c1-5(12)4-11-6(2)10-7(9)3-8(11)13/h3,5,12H,4H2,1-2H3
InChIKeyNCFCTCIUEUJHFX-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.59
Rot. Bonds2

About 6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one

6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one (PubChem CID 114581683) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
PubChem CID114581683
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(C)O
InChIInChI=1S/C8H11ClN2O2/c1-5(12)4-11-6(2)10-7(9)3-8(11)13/h3,5,12H,4H2,1-2H3
InChIKeyNCFCTCIUEUJHFX-UHFFFAOYSA-N
XLogP0.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
CID 96672369
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114581597
6-chloro-3-(2-ethylbutyl)-2-methylpyrimidin-4-one
CID 114582003
6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
CID 114581850
3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824
6-chloro-3-(3-hydroxy-3-methylbutyl)-2-methylpyrimidin-4-one
CID 114581801
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114581924
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 114581979
6-chloro-2-methyl-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 114581731
6-chloro-3-[(4-iodophenyl)methyl]-2-methylpyrimidin-4-one
CID 114581841
6-chloro-3-[3-(dimethylamino)propyl]-2-methylpyrimidin-4-one
CID 114581993

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one (CID 114581683) is 6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC(C)O.
What is the InChIKey of 6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one?
The InChIKey is NCFCTCIUEUJHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-5(12)4-11-6(2)10-7(9)3-8(11)13/h3,5,12H,4H2,1-2H3.
What are the key properties of 6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one?
6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one has a molecular weight of 202.64 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).