2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one

C9H14N2O3 — CID 105451369

IUPAC2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(CCCO)[nH]c(=O)c1C
InChIInChI=1S/C9H14N2O3/c1-6-8(13)10-7(4-3-5-12)11-9(6)14-2/h12H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyJSTUGVREYNOHGE-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.01
Rot. Bonds4

About 2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one

2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 105451369) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
PubChem CID105451369
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(CCCO)[nH]c(=O)c1C
InChIInChI=1S/C9H14N2O3/c1-6-8(13)10-7(4-3-5-12)11-9(6)14-2/h12H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyJSTUGVREYNOHGE-UHFFFAOYSA-N
XLogP0.01
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one (CID 105451369) is 2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one is COc1nc(CCCO)[nH]c(=O)c1C.
What is the InChIKey of 2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is JSTUGVREYNOHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-8(13)10-7(4-3-5-12)11-9(6)14-2/h12H,3-5H2,1-2H3,(H,10,11,13).
What are the key properties of 2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 105451369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).