3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one

C10H16N2O — CID 58670341

IUPAC3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one
SMILESC=C1C=CN(C)C(=O)N1C(C)(C)C
InChIInChI=1S/C10H16N2O/c1-8-6-7-11(5)9(13)12(8)10(2,3)4/h6-7H,1H2,2-5H3
InChIKeyFQPQJVVVWIUOBR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.18
Rot. Bonds

About 3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one

3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one (PubChem CID 58670341) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one
PubChem CID58670341
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one
SMILESC=C1C=CN(C)C(=O)N1C(C)(C)C
InChIInChI=1S/C10H16N2O/c1-8-6-7-11(5)9(13)12(8)10(2,3)4/h6-7H,1H2,2-5H3
InChIKeyFQPQJVVVWIUOBR-UHFFFAOYSA-N
XLogP2.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one?
The IUPAC name of 3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one (CID 58670341) is 3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one.
What is the SMILES notation for 3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one?
The canonical SMILES for 3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one is C=C1C=CN(C)C(=O)N1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one?
The InChIKey is FQPQJVVVWIUOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-6-7-11(5)9(13)12(8)10(2,3)4/h6-7H,1H2,2-5H3.
What are the key properties of 3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one?
3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-4-methylidenepyrimidin-2-one is sourced from PubChem (CID 58670341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).