2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one

C12H22N2O — CID 157105506

IUPAC2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)C.CC(C)Cc1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O.C4H10/c1-6(2)5-7-9-4-3-8(11)10-7;1-4(2)3/h3-4,6H,5H2,1-2H3,(H,9,10,11);4H,1-3H3
InChIKeyAGGFLAIGNRWNHU-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.63
Rot. Bonds2

About 2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one

2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 157105506) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID157105506
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)C.CC(C)Cc1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O.C4H10/c1-6(2)5-7-9-4-3-8(11)10-7;1-4(2)3/h3-4,6H,5H2,1-2H3,(H,9,10,11);4H,1-3H3
InChIKeyAGGFLAIGNRWNHU-UHFFFAOYSA-N
XLogP2.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one (CID 157105506) is 2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one is CC(C)C.CC(C)Cc1nccc(=O)[nH]1.
What is the InChIKey of 2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is AGGFLAIGNRWNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C4H10/c1-6(2)5-7-9-4-3-8(11)10-7;1-4(2)3/h3-4,6H,5H2,1-2H3,(H,9,10,11);4H,1-3H3.
What are the key properties of 2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one?
2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 210.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;2-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 157105506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).