1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one

C8H12N2O2 — CID 130485257

IUPAC1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one
SMILESCc1ccn(C[C@@H](C)O)c(=O)n1
InChIInChI=1S/C8H12N2O2/c1-6-3-4-10(5-7(2)11)8(12)9-6/h3-4,7,11H,5H2,1-2H3/t7-/m1/s1
InChIKeyKNMMQORGMUETMQ-SSDOTTSWSA-N
MW168.20 g/mol
LogP-0.07
Rot. Bonds2

About 1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one

1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one (PubChem CID 130485257) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one
PubChem CID130485257
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one
SMILESCc1ccn(C[C@@H](C)O)c(=O)n1
InChIInChI=1S/C8H12N2O2/c1-6-3-4-10(5-7(2)11)8(12)9-6/h3-4,7,11H,5H2,1-2H3/t7-/m1/s1
InChIKeyKNMMQORGMUETMQ-SSDOTTSWSA-N
XLogP-0.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-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

1-(3-Hydroxypropyl)-4-methyl-2-oxopyrimidine
CID 130485259
N-2-hydroxypropyl-pyrimidinone
CID 60878763
1-(2-Hydroxyethyl)-4-methyl-2-oxopyrimidine
CID 69635561
1-(3-Fluoro-2-hydroxypropyl)-4-methyl-1,2-dihydropyrimidin-2-one
CID 165600791
1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one
CID 58922325
4-ethoxy-1-[(2R)-2-hydroxypropyl]pyrimidin-2-one
CID 139891489
1-(2-Ethoxy-3-hydroxypropyl)-4-methylpyrimidin-2-one
CID 169840154
1-[(1R)-1-(1,3-dimethoxypropan-2-yloxy)-2-hydroxyethyl]-4-methylpyrimidin-2-one
CID 169883509
1-(2-Hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride
CID 173195611
1-(2-Hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid
CID 173195646
1-(2-Hydroxypropyl)-4,6-dimethyl-2(1H)-pyrimidinone
CID 14574214
3-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-3-ium-2-one
CID 21954094

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one (CID 130485257) is 1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one is Cc1ccn(C[C@@H](C)O)c(=O)n1.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one?
The InChIKey is KNMMQORGMUETMQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-3-4-10(5-7(2)11)8(12)9-6/h3-4,7,11H,5H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one?
1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]-4-methylpyrimidin-2-one is sourced from PubChem (CID 130485257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).