4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one

C13H20N2O2 — CID 136886266

IUPAC4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCOC2)[nH]c(=O)c1C(C)C
InChIInChI=1S/C13H20N2O2/c1-8(2)12-9(3)14-11(15-13(12)16)6-10-4-5-17-7-10/h8,10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyNEXFCNIGEBVINX-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.78
Rot. Bonds3

About 4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one

4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136886266) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136886266
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCOC2)[nH]c(=O)c1C(C)C
InChIInChI=1S/C13H20N2O2/c1-8(2)12-9(3)14-11(15-13(12)16)6-10-4-5-17-7-10/h8,10H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyNEXFCNIGEBVINX-UHFFFAOYSA-N
XLogP1.78
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 113362255
2-(oxolan-3-ylmethyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941398
5-(4-fluorophenyl)-4-hydroxy-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 103986007
4-(methylaminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 136886307
5-ethyl-6-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidine-4-thione
CID 106477076
4-(chloromethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 136886289
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 103988030
N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 103988061
7-[[(3S)-oxolan-3-yl]methyl]-2-propan-2-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136891489
2-(oxolan-3-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
CID 170722463
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115077254

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 136886266) is 4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is Cc1nc(CC2CCOC2)[nH]c(=O)c1C(C)C.
What is the InChIKey of 4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NEXFCNIGEBVINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)12-9(3)14-11(15-13(12)16)6-10-4-5-17-7-10/h8,10H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136886266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).