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

C10H12F2N2O — CID 125450671

IUPAC(7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1CCc2nc(C(F)F)cc(=O)n2C1
InChIInChI=1S/C10H12F2N2O/c1-6-2-3-8-13-7(10(11)12)4-9(15)14(8)5-6/h4,6,10H,2-3,5H2,1H3/t6-/m0/s1
InChIKeyOYLXNEMPXXKHRF-LURJTMIESA-N
MW214.22 g/mol
LogP1.76
Rot. Bonds1

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

(7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 125450671) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is (7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID125450671
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name(7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1CCc2nc(C(F)F)cc(=O)n2C1
InChIInChI=1S/C10H12F2N2O/c1-6-2-3-8-13-7(10(11)12)4-9(15)14(8)5-6/h4,6,10H,2-3,5H2,1H3/t6-/m0/s1
InChIKeyOYLXNEMPXXKHRF-LURJTMIESA-N
XLogP1.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.76
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
3-Methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 10775915
(4R)-9-(trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
CID 156516504
9-(Trifluoromethyl)-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
CID 156747002
9-Methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45794765
9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92861380
9-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92861381
2-(Difluoromethyl)-8,8-dimethyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 125449246
(6S)-2-(difluoromethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450460
(6R)-2-(difluoromethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450464
(7R)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450672
2-(Difluoromethyl)-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 125450710

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of (7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 125450671) is (7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is C[C@H]1CCc2nc(C(F)F)cc(=O)n2C1.
What is the InChIKey of (7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OYLXNEMPXXKHRF-LURJTMIESA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6-2-3-8-13-7(10(11)12)4-9(15)14(8)5-6/h4,6,10H,2-3,5H2,1H3/t6-/m0/s1.
What are the key properties of (7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
(7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 214.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 125450671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).