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

C12H18N2O — CID 13382495

IUPAC2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n2c(n1)CCCC2
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-8-11(15)14-7-5-4-6-10(14)13-9/h8H,4-7H2,1-3H3
InChIKeyCQGFJLWQIUSXKE-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.88
Rot. Bonds

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

2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 13382495) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID13382495
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n2c(n1)CCCC2
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-8-11(15)14-7-5-4-6-10(14)13-9/h8H,4-7H2,1-3H3
InChIKeyCQGFJLWQIUSXKE-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 2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 13382495) is 2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC(C)(C)c1cc(=O)n2c(n1)CCCC2.
What is the InChIKey of 2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CQGFJLWQIUSXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)9-8-11(15)14-7-5-4-6-10(14)13-9/h8H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-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 2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 13382495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).