4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one

C9H14N2O2 — CID 135506238

IUPAC4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C9H14N2O2/c1-6(2)9-10-7(5-13-3)4-8(12)11-9/h4,6H,5H2,1-3H3,(H,10,11,12)
InChIKeyAKSJYXATJHTXMO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.04
Rot. Bonds3

About 4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135506238) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135506238
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C9H14N2O2/c1-6(2)9-10-7(5-13-3)4-8(12)11-9/h4,6H,5H2,1-3H3,(H,10,11,12)
InChIKeyAKSJYXATJHTXMO-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805670
2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136930623
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780116
4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136820290
2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135631209
4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770106
4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
methyl 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetate
CID 136973721
4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 135629231
4-(4-methoxyphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241209
4-(2-hydroxyethylsulfanyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578899

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 135506238) is 4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AKSJYXATJHTXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)9-10-7(5-13-3)4-8(12)11-9/h4,6H,5H2,1-3H3,(H,10,11,12).
What are the key properties of 4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135506238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).