1-(3-hydroxypropyl)-4-methylpyrimidin-2-one

C8H12N2O2 — CID 130485259

IUPAC1-(3-hydroxypropyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CCCO)c(=O)n1
InChIInChI=1S/C8H12N2O2/c1-7-3-5-10(4-2-6-11)8(12)9-7/h3,5,11H,2,4,6H2,1H3
InChIKeyHCONMKQOHOAKPP-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.07
Rot. Bonds3

About 1-(3-hydroxypropyl)-4-methylpyrimidin-2-one

1-(3-hydroxypropyl)-4-methylpyrimidin-2-one (PubChem CID 130485259) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-4-methylpyrimidin-2-one
PubChem CID130485259
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(3-hydroxypropyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CCCO)c(=O)n1
InChIInChI=1S/C8H12N2O2/c1-7-3-5-10(4-2-6-11)8(12)9-7/h3,5,11H,2,4,6H2,1H3
InChIKeyHCONMKQOHOAKPP-UHFFFAOYSA-N
XLogP-0.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

N-(1,1-difluoro-3-hydroxypropyl)-N-[(Z)-3-methyliminobut-1-enyl]formamide
CID 134388610
1-(3-Hydroxypropyl)-4,6-dimethyl-2-oxopyrimidine
CID 43509825
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
1-[(1S)-1-(2-hydroxyethoxy)propyl]-4-methylpyrimidin-2-one
CID 71148648
1,4-Bis(hydroxymethyl)pyrimidin-2-one
CID 118366610
4-Ethoxy-1-(3-hydroxypropyl)pyrimidin-2-one
CID 141829471
1-(2-Hydroxyethyl)-4-methylpyrimidin-2-one;hydrochloride
CID 173195611
1-(2-Hydroxybutyl)-4-methylpyrimidin-2-one
CID 72463871
1-(3-Hydroxy-2-methylpropyl)pyrimidin-2-one
CID 116493377
1-(3-Hydroxy-2-methylpropyl)-4-methylpyrimidin-2-one
CID 130485254

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-4-methylpyrimidin-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-4-methylpyrimidin-2-one (CID 130485259) is 1-(3-hydroxypropyl)-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-4-methylpyrimidin-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-4-methylpyrimidin-2-one is Cc1ccn(CCCO)c(=O)n1.
What is the InChIKey of 1-(3-hydroxypropyl)-4-methylpyrimidin-2-one?
The InChIKey is HCONMKQOHOAKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7-3-5-10(4-2-6-11)8(12)9-7/h3,5,11H,2,4,6H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-4-methylpyrimidin-2-one?
1-(3-hydroxypropyl)-4-methylpyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-4-methylpyrimidin-2-one is sourced from PubChem (CID 130485259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).