2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one

C9H14N2O2 — CID 136730170

IUPAC2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6-4-9(12)11-8(10-6)5-7(2)13-3/h4,7H,5H2,1-3H3,(H,10,11,12)
InChIKeySQOXSYWJTALQQO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.66
Rot. Bonds3

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

2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136730170) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136730170
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-6-4-9(12)11-8(10-6)5-7(2)13-3/h4,7H,5H2,1-3H3,(H,10,11,12)
InChIKeySQOXSYWJTALQQO-UHFFFAOYSA-N
XLogP0.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-(methoxymethyl)pyrimidin-4(3H)-one
CID 135631206
6-methyl-2-propylpyrimidin-4(3H)-one
CID 135516607
2-Butyl-6-methyl-4-pyrimidinol
CID 135424377
2-Ethyl-6-methylpyrimidin-4(1h)-one
CID 135417368
4(3H)-Pyrimidinone, 2-(2-hydroxy-1-methylethyl)-6-methyl-
CID 135618154
5-fluoro-2-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136228905
5-fluoro-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
CID 136730196
2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136842422
4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842423
6-amino-2-(2-methoxyethyl)pyrimidin-4(3H)-one
CID 135629496
6-(methoxymethyl)-2-propylpyrimidin-4(3H)-one
CID 136035589
4-Amino-2-(2-ethoxyethyl)pyrimid-6-one
CID 136354624

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one (CID 136730170) is 2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one is COC(C)Cc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SQOXSYWJTALQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-4-9(12)11-8(10-6)5-7(2)13-3/h4,7H,5H2,1-3H3,(H,10,11,12).
What are the key properties of 2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one?
2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).