1-(2-hydroxybutyl)pyrimidin-2-one

C8H12N2O2 — CID 60878764

IUPAC1-(2-hydroxybutyl)pyrimidin-2-one
SMILESCCC(O)Cn1cccnc1=O
InChIInChI=1S/C8H12N2O2/c1-2-7(11)6-10-5-3-4-9-8(10)12/h3-5,7,11H,2,6H2,1H3
InChIKeyPAPNLNPXAVACOW-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.01
Rot. Bonds3

About 1-(2-hydroxybutyl)pyrimidin-2-one

1-(2-hydroxybutyl)pyrimidin-2-one (PubChem CID 60878764) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(2-hydroxybutyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxybutyl)pyrimidin-2-one
PubChem CID60878764
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(2-hydroxybutyl)pyrimidin-2-one
SMILESCCC(O)Cn1cccnc1=O
InChIInChI=1S/C8H12N2O2/c1-2-7(11)6-10-5-3-4-9-8(10)12/h3-5,7,11H,2,6H2,1H3
InChIKeyPAPNLNPXAVACOW-UHFFFAOYSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Hydroxyethyl)-2-pyrimidinone
CID 43509828
1-(3-Hydroxypropyl)-2-oxopyrimidine
CID 43509829
1-(4-Hydroxybutyl)-2-oxopyrimidine
CID 43509830
N-2-hydroxypropyl-pyrimidinone
CID 60878763
1-(3-Fluoro-2-hydroxypropyl)-1,2-dihydropyrimidin-2-one
CID 165606267
1-[(2R)-2-hydroxybutyl]-4-methylpyrimidin-2-one
CID 58922325
1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one
CID 126759806
1-(3-Amino-2-hydroxypropyl)pyrimidin-2-one
CID 16784985
1-[(2R)-3-amino-2-hydroxypropyl]pyrimidin-2-one
CID 30077824
1-[2-Hydroxy-3-(propylamino)propyl]pyrimidin-2-one
CID 43165932
1-[3-(Ethylamino)-2-hydroxypropyl]pyrimidin-2-one
CID 43165933
1-[2-Hydroxy-3-(methylamino)propyl]pyrimidin-2-one
CID 43187947

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybutyl)pyrimidin-2-one?
The IUPAC name of 1-(2-hydroxybutyl)pyrimidin-2-one (CID 60878764) is 1-(2-hydroxybutyl)pyrimidin-2-one.
What is the SMILES notation for 1-(2-hydroxybutyl)pyrimidin-2-one?
The canonical SMILES for 1-(2-hydroxybutyl)pyrimidin-2-one is CCC(O)Cn1cccnc1=O.
What is the InChIKey of 1-(2-hydroxybutyl)pyrimidin-2-one?
The InChIKey is PAPNLNPXAVACOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-7(11)6-10-5-3-4-9-8(10)12/h3-5,7,11H,2,6H2,1H3.
What are the key properties of 1-(2-hydroxybutyl)pyrimidin-2-one?
1-(2-hydroxybutyl)pyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybutyl)pyrimidin-2-one is sourced from PubChem (CID 60878764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).