4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

C14H22N2O2 — CID 136964515

IUPAC4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C14H22N2O2/c1-10(2)7-11-8-14(17)16-13(15-11)9-12-5-3-4-6-18-12/h8,10,12H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyYBXGBWLMCDKPED-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.08
Rot. Bonds4

About 4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136964515) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136964515
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C14H22N2O2/c1-10(2)7-11-8-14(17)16-13(15-11)9-12-5-3-4-6-18-12/h8,10,12H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyYBXGBWLMCDKPED-UHFFFAOYSA-N
XLogP2.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-2-ylmethyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964507
4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136852169
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 137313956
4-cyclopropyl-5-iodo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730225
2-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 154793646
7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50958650
N-[[2-(oxan-2-ylmethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 113391724
2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136776171
2-(oxan-2-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477343
6-fluoro-2-(oxan-2-ylmethyl)-1H-benzimidazole-4-carboxylic acid
CID 103436201
2-(oxolan-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135537400
2-[[(2R)-oxolan-2-yl]methylamino]-4-propyl-1H-pyrimidin-6-one
CID 136900705

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136964515) is 4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is CC(C)Cc1cc(=O)[nH]c(CC2CCCCO2)n1.
What is the InChIKey of 4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is YBXGBWLMCDKPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)7-11-8-14(17)16-13(15-11)9-12-5-3-4-6-18-12/h8,10,12H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136964515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).