2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one

C9H16N2O — CID 123475358

IUPAC2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCCC(C)C1=NC(C)CC(=O)N1
InChIInChI=1S/C9H16N2O/c1-4-6(2)9-10-7(3)5-8(12)11-9/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyWZQYZCXZKXMFOR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.34
Rot. Bonds2

About 2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one

2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 123475358) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID123475358
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCCC(C)C1=NC(C)CC(=O)N1
InChIInChI=1S/C9H16N2O/c1-4-6(2)9-10-7(3)5-8(12)11-9/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyWZQYZCXZKXMFOR-UHFFFAOYSA-N
XLogP1.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one (CID 123475358) is 2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one is CCC(C)C1=NC(C)CC(=O)N1.
What is the InChIKey of 2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is WZQYZCXZKXMFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-6(2)9-10-7(3)5-8(12)11-9/h6-7H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 168.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 123475358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).