4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one

C14H22N2O2 — CID 136730189

IUPAC4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCCCO2)[nH]c(=O)c1C(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)13-10(3)15-12(16-14(13)17)8-11-6-4-5-7-18-11/h9,11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyMEMNFDQBLBLADY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.31
Rot. Bonds3

About 4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one

4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136730189) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136730189
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCCCO2)[nH]c(=O)c1C(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)13-10(3)15-12(16-14(13)17)8-11-6-4-5-7-18-11/h9,11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyMEMNFDQBLBLADY-UHFFFAOYSA-N
XLogP2.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-propyl-5-(tetrahydro-2H-pyran-2-ylmethyl)pyrimidin-4(3H)-one
CID 136026735
8-(methoxymethyl)-2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136460456
5-ethyl-4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249129
4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113391198
5-ethyl-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135996599
5-ethyl-4-methyl-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 136033612
5-ethyl-4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrimidin-6-one
CID 136040379
4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136040383
4-ethyl-5-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrimidin-6-one
CID 136040386
5-ethyl-4-methyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136067475
4-methyl-2-(oxan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136067477
4-ethyl-5-methyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136067481

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 136730189) is 4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is Cc1nc(CC2CCCCO2)[nH]c(=O)c1C(C)C.
What is the InChIKey of 4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MEMNFDQBLBLADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)13-10(3)15-12(16-14(13)17)8-11-6-4-5-7-18-11/h9,11H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).