1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one

C12H18N2O — CID 116895408

IUPAC1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(C)cc(CC(C)C)n1
InChIInChI=1S/C12H18N2O/c1-8(2)5-11-6-9(3)13-12(14-11)7-10(4)15/h6,8H,5,7H2,1-4H3
InChIKeyRPYLIHKXIHCHIO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.12
Rot. Bonds4

About 1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one

1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one (PubChem CID 116895408) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one
PubChem CID116895408
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(C)cc(CC(C)C)n1
InChIInChI=1S/C12H18N2O/c1-8(2)5-11-6-9(3)13-12(14-11)7-10(4)15/h6,8H,5,7H2,1-4H3
InChIKeyRPYLIHKXIHCHIO-UHFFFAOYSA-N
XLogP2.12
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-4-methyl-6-(2-methylpropyl)pyrimidine
CID 116893669
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]ethanamine
CID 116892597
2-methyl-6-(2-methylpropyl)pyridine-4-carboxylic acid
CID 57437203
1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one
CID 116895464
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
CID 116896338
4-methyl-6-(2-methylpropyl)-2-(piperidin-4-ylmethyl)pyrimidine
CID 116893542
1-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-one
CID 116895459
2,4-diethyl-6-methylpyrimidine
CID 45080276
1-[2-[(dimethylamino)methyl]-6-methylpyrimidin-4-yl]propan-2-amine
CID 79088372
2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid
CID 105448907
2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole
CID 58418046
1-(4,6-dimethylpyrimidin-2-yl)propan-2-ol
CID 63201319

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one?
The IUPAC name of 1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one (CID 116895408) is 1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one?
The canonical SMILES for 1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one is CC(=O)Cc1nc(C)cc(CC(C)C)n1.
What is the InChIKey of 1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one?
The InChIKey is RPYLIHKXIHCHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)5-11-6-9(3)13-12(14-11)7-10(4)15/h6,8H,5,7H2,1-4H3.
What are the key properties of 1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one?
1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one has a molecular weight of 206.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]propan-2-one is sourced from PubChem (CID 116895408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).