methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine

C24H44N4O — CID 159081849

IUPACmethane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine
SMILESC.C.C=C1C=CN(C(C)C)C(C(C)C)=N1.Cc1cn(C(C)C)c(C(C)C)nc1=O
InChIInChI=1S/C11H18N2O.C11H18N2.2CH4/c1-7(2)10-12-11(14)9(5)6-13(10)8(3)4;1-8(2)11-12-10(5)6-7-13(11)9(3)4;;/h6-8H,1-5H3;6-9H,5H2,1-4H3;2*1H4
InChIKeyKAYLVXIWLLUGOB-UHFFFAOYSA-N
MW404.64 g/mol
LogP6.32
Rot. Bonds4

About methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine

methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine (PubChem CID 159081849) has the molecular formula C24H44N4O and a molecular weight of 404.64 g/mol. Its IUPAC name is methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Namemethane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine
PubChem CID159081849
Molecular FormulaC24H44N4O
Molecular Weight404.64 g/mol
Exact Mass404.35
IUPAC Namemethane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine
SMILESC.C.C=C1C=CN(C(C)C)C(C(C)C)=N1.Cc1cn(C(C)C)c(C(C)C)nc1=O
InChIInChI=1S/C11H18N2O.C11H18N2.2CH4/c1-7(2)10-12-11(14)9(5)6-13(10)8(3)4;1-8(2)11-12-10(5)6-7-13(11)9(3)4;;/h6-8H,1-5H3;6-9H,5H2,1-4H3;2*1H4
InChIKeyKAYLVXIWLLUGOB-UHFFFAOYSA-N
XLogP6.32
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine?
The IUPAC name of methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine (CID 159081849) is methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine.
What is the SMILES notation for methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine?
The canonical SMILES for methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine is C.C.C=C1C=CN(C(C)C)C(C(C)C)=N1.Cc1cn(C(C)C)c(C(C)C)nc1=O.
What is the InChIKey of methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine?
The InChIKey is KAYLVXIWLLUGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C11H18N2.2CH4/c1-7(2)10-12-11(14)9(5)6-13(10)8(3)4;1-8(2)11-12-10(5)6-7-13(11)9(3)4;;/h6-8H,1-5H3;6-9H,5H2,1-4H3;2*1H4.
What are the key properties of methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine?
methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine has a molecular weight of 404.64 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-1,2-di(propan-2-yl)pyrimidin-4-one;4-methylidene-1,2-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 159081849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).