1-(3-hydroxypropyl)-6-methylpyrimidin-2-one

C8H12N2O2 — CID 175647230

IUPAC1-(3-hydroxypropyl)-6-methylpyrimidin-2-one
SMILESCc1ccnc(=O)n1CCCO
InChIInChI=1S/C8H12N2O2/c1-7-3-4-9-8(12)10(7)5-2-6-11/h3-4,11H,2,5-6H2,1H3
InChIKeyUCXSZPZPTJBPGU-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.07
Rot. Bonds3

About 1-(3-hydroxypropyl)-6-methylpyrimidin-2-one

1-(3-hydroxypropyl)-6-methylpyrimidin-2-one (PubChem CID 175647230) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-6-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-6-methylpyrimidin-2-one
PubChem CID175647230
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(3-hydroxypropyl)-6-methylpyrimidin-2-one
SMILESCc1ccnc(=O)n1CCCO
InChIInChI=1S/C8H12N2O2/c1-7-3-4-9-8(12)10(7)5-2-6-11/h3-4,11H,2,5-6H2,1H3
InChIKeyUCXSZPZPTJBPGU-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

1-(3-Hydroxypropyl)-4,6-dimethyl-2-oxopyrimidine
CID 43509825
1-(3-Hydroxypropyl)-2-oxopyrimidine
CID 43509829
1-(2-Hydroxyethyl)-6-methyl-2-oxopyrimidine
CID 73856022
1,3-Bis(2-hydroxyethyl)-4-methylpyrimidin-1-ium-2-one chloride
CID 12097263
1,3-Bis(2-hydroxyethyl)-4-methylpyrimidin-1-ium-2-one
CID 12097264
1-(3-Hydroxypropyl)-3,4,6-trimethylpyrimidin-3-ium-2-one
CID 59025358
1-(3-Hydroxybutyl)pyrimidin-2-one
CID 61765693
1-(3-Hydroxy-2-methylpropyl)pyrimidin-2-one
CID 116493377
1-(3-Hydroxy-2,2-dimethylpropyl)-1,2-dihydropyrimidin-2-one
CID 164652793

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-6-methylpyrimidin-2-one?
The IUPAC name of 1-(3-hydroxypropyl)-6-methylpyrimidin-2-one (CID 175647230) is 1-(3-hydroxypropyl)-6-methylpyrimidin-2-one.
What is the SMILES notation for 1-(3-hydroxypropyl)-6-methylpyrimidin-2-one?
The canonical SMILES for 1-(3-hydroxypropyl)-6-methylpyrimidin-2-one is Cc1ccnc(=O)n1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-6-methylpyrimidin-2-one?
The InChIKey is UCXSZPZPTJBPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7-3-4-9-8(12)10(7)5-2-6-11/h3-4,11H,2,5-6H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-6-methylpyrimidin-2-one?
1-(3-hydroxypropyl)-6-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)-6-methylpyrimidin-2-one is sourced from PubChem (CID 175647230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).