4,6-di(propan-2-yl)-1H-pyrimidin-2-one

C10H16N2O — CID 59336135

IUPAC4,6-di(propan-2-yl)-1H-pyrimidin-2-one
SMILESCC(C)c1cc(C(C)C)[nH]c(=O)n1
InChIInChI=1S/C10H16N2O/c1-6(2)8-5-9(7(3)4)12-10(13)11-8/h5-7H,1-4H3,(H,11,12,13)
InChIKeyZMZZIYWIPKNTRI-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.02
Rot. Bonds2

About 4,6-di(propan-2-yl)-1H-pyrimidin-2-one

4,6-di(propan-2-yl)-1H-pyrimidin-2-one (PubChem CID 59336135) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4,6-di(propan-2-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-di(propan-2-yl)-1H-pyrimidin-2-one
PubChem CID59336135
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4,6-di(propan-2-yl)-1H-pyrimidin-2-one
SMILESCC(C)c1cc(C(C)C)[nH]c(=O)n1
InChIInChI=1S/C10H16N2O/c1-6(2)8-5-9(7(3)4)12-10(13)11-8/h5-7H,1-4H3,(H,11,12,13)
InChIKeyZMZZIYWIPKNTRI-UHFFFAOYSA-N
XLogP2.02
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-di(propan-2-yl)-1H-pyrimidin-2-one?
The IUPAC name of 4,6-di(propan-2-yl)-1H-pyrimidin-2-one (CID 59336135) is 4,6-di(propan-2-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-di(propan-2-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-di(propan-2-yl)-1H-pyrimidin-2-one is CC(C)c1cc(C(C)C)[nH]c(=O)n1.
What is the InChIKey of 4,6-di(propan-2-yl)-1H-pyrimidin-2-one?
The InChIKey is ZMZZIYWIPKNTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)8-5-9(7(3)4)12-10(13)11-8/h5-7H,1-4H3,(H,11,12,13).
What are the key properties of 4,6-di(propan-2-yl)-1H-pyrimidin-2-one?
4,6-di(propan-2-yl)-1H-pyrimidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(propan-2-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 59336135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).