4-butyl-2-propan-2-yl-1H-pyrimidin-6-one

C11H18N2O — CID 136805670

IUPAC4-butyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H18N2O/c1-4-5-6-9-7-10(14)13-11(12-9)8(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyQBVIWMGDIPUVKM-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.24
Rot. Bonds4

About 4-butyl-2-propan-2-yl-1H-pyrimidin-6-one

4-butyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136805670) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-butyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-butyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136805670
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-butyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H18N2O/c1-4-5-6-9-7-10(14)13-11(12-9)8(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyQBVIWMGDIPUVKM-UHFFFAOYSA-N
XLogP2.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-butyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 136805670) is 4-butyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-butyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-butyl-2-propan-2-yl-1H-pyrimidin-6-one is CCCCc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-butyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QBVIWMGDIPUVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-5-6-9-7-10(14)13-11(12-9)8(2)3/h7-8H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 4-butyl-2-propan-2-yl-1H-pyrimidin-6-one?
4-butyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 194.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136805670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).