5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one

C11H18N2O — CID 126543346

IUPAC5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)Cc1cnc(C(C)C)[nH]c1=O
InChIInChI=1S/C11H18N2O/c1-7(2)5-9-6-12-10(8(3)4)13-11(9)14/h6-8H,5H2,1-4H3,(H,12,13,14)
InChIKeyLADZEVXAIVDLGW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.09
Rot. Bonds3

About 5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one

5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 126543346) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID126543346
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)Cc1cnc(C(C)C)[nH]c1=O
InChIInChI=1S/C11H18N2O/c1-7(2)5-9-6-12-10(8(3)4)13-11(9)14/h6-8H,5H2,1-4H3,(H,12,13,14)
InChIKeyLADZEVXAIVDLGW-UHFFFAOYSA-N
XLogP2.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 126543346) is 5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)Cc1cnc(C(C)C)[nH]c1=O.
What is the InChIKey of 5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is LADZEVXAIVDLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)5-9-6-12-10(8(3)4)13-11(9)14/h6-8H,5H2,1-4H3,(H,12,13,14).
What are the key properties of 5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one?
5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 194.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 126543346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).