3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C12H18N2O — CID 170058032

IUPAC3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)c1cnc2n(c1=O)CCCC2
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-8-13-10-6-4-5-7-14(10)11(9)15/h8H,4-7H2,1-3H3
InChIKeyUILAEGGQUWDKEW-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.88
Rot. Bonds

About 3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 170058032) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID170058032
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)c1cnc2n(c1=O)CCCC2
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-8-13-10-6-4-5-7-14(10)11(9)15/h8H,4-7H2,1-3H3
InChIKeyUILAEGGQUWDKEW-UHFFFAOYSA-N
XLogP1.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 170058032) is 3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC(C)(C)c1cnc2n(c1=O)CCCC2.
What is the InChIKey of 3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UILAEGGQUWDKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)9-8-13-10-6-4-5-7-14(10)11(9)15/h8H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 170058032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).