2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one

C8H12N2O2 — CID 155896752

IUPAC2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCCO)n1
InChIInChI=1S/C8H12N2O2/c1-6-5-8(12)10-7(9-6)3-2-4-11/h5,11H,2-4H2,1H3,(H,9,10,12)
InChIKeyMKMHUDUKRDHODH-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.00
Rot. Bonds3

About 2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one

2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 155896752) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID155896752
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCCO)n1
InChIInChI=1S/C8H12N2O2/c1-6-5-8(12)10-7(9-6)3-2-4-11/h5,11H,2-4H2,1H3,(H,9,10,12)
InChIKeyMKMHUDUKRDHODH-UHFFFAOYSA-N
XLogP0.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one (CID 155896752) is 2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(CCCO)n1.
What is the InChIKey of 2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MKMHUDUKRDHODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-5-8(12)10-7(9-6)3-2-4-11/h5,11H,2-4H2,1H3,(H,9,10,12).
What are the key properties of 2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one?
2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 155896752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).