3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten

C11H20N2OW — CID 159722767

IUPAC3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten
SMILESC.CC(C)c1cncn(C(C)C)c1=O.[W]
InChIInChI=1S/C10H16N2O.CH4.W/c1-7(2)9-5-11-6-12(8(3)4)10(9)13;;/h5-8H,1-4H3;1H4;
InChIKeyNAGBGFVYIBVAFF-UHFFFAOYSA-N
MW380.13 g/mol
LogP2.58
Rot. Bonds2

About 3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten

3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten (PubChem CID 159722767) has the molecular formula C11H20N2OW and a molecular weight of 380.13 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten.

Molecular Properties

Compound Name3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten
PubChem CID159722767
Molecular FormulaC11H20N2OW
Molecular Weight380.13 g/mol
Exact Mass380.11
IUPAC Name3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten
SMILESC.CC(C)c1cncn(C(C)C)c1=O.[W]
InChIInChI=1S/C10H16N2O.CH4.W/c1-7(2)9-5-11-6-12(8(3)4)10(9)13;;/h5-8H,1-4H3;1H4;
InChIKeyNAGBGFVYIBVAFF-UHFFFAOYSA-N
XLogP2.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.13
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Propan-2-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 178099444
3,5-Di(propan-2-yl)pyrimidin-4-one
CID 20641831
6-Chloro-3,5-di(propan-2-yl)pyrimidin-4-one
CID 58567461
3,5-Ditert-butylpyrimidin-4-one
CID 59066333
3-Ethyl-5-propan-2-ylpyrimidin-4-one
CID 89409698
5-Ethyl-3-propan-2-ylpyrimidin-4-one
CID 89749441
3,5-Diethylpyrimidin-4-one
CID 89749476
3-(2,4-Dimethylpentan-2-yl)-5-propan-2-ylpyrimidin-4-one
CID 90761642
5-Methyl-3-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 123408388
3-Methyl-5-propan-2-ylpyrimidin-4-one
CID 126706123
5-Ethyl-3-methylpyrimidin-4-one
CID 126718918
5-Tert-butyl-3-propan-2-ylpyrimidin-4-one
CID 132238867

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten?
The IUPAC name of 3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten (CID 159722767) is 3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten.
What is the SMILES notation for 3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten?
The canonical SMILES for 3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten is C.CC(C)c1cncn(C(C)C)c1=O.[W].
What is the InChIKey of 3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten?
The InChIKey is NAGBGFVYIBVAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.CH4.W/c1-7(2)9-5-11-6-12(8(3)4)10(9)13;;/h5-8H,1-4H3;1H4;.
What are the key properties of 3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten?
3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten has a molecular weight of 380.13 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)pyrimidin-4-one;methane;tungsten is sourced from PubChem (CID 159722767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).