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

C13H20N2O — CID 125450311

IUPAC(6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1CCCc2nc(C(C)(C)C)cc(=O)n21
InChIInChI=1S/C13H20N2O/c1-9-6-5-7-11-14-10(13(2,3)4)8-12(16)15(9)11/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyKCNABPMGLMKMKI-VIFPVBQESA-N
MW220.32 g/mol
LogP2.44
Rot. Bonds

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

(6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 125450311) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID125450311
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1CCCc2nc(C(C)(C)C)cc(=O)n21
InChIInChI=1S/C13H20N2O/c1-9-6-5-7-11-14-10(13(2,3)4)8-12(16)15(9)11/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyKCNABPMGLMKMKI-VIFPVBQESA-N
XLogP2.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4H-pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-2-methyl-
CID 529095
2,6-dimethyl-3-ethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine
CID 12527432
3-Ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-A]pyrimidin-4-one
CID 12527431
2-tert-Butyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 13382495
2-Methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 20789435
2-Methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 58337282
3-Ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten
CID 59017605
3-Butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 67962404
2-Pentyl-9-prop-2-enyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 68148891
2-ethyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 121224809
Ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 142894114
2-ethyl-9-hydrazinylidene-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 158135794

Frequently Asked Questions

What is the IUPAC name of (6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of (6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 125450311) is (6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is C[C@H]1CCCc2nc(C(C)(C)C)cc(=O)n21.
What is the InChIKey of (6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KCNABPMGLMKMKI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-6-5-7-11-14-10(13(2,3)4)8-12(16)15(9)11/h8-9H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
(6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 220.32 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-tert-butyl-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 125450311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).