(7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C9H10F2N2O — CID 125451128

IUPAC(7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESC[C@H]1Cc2nc(C(F)F)cc(=O)n2C1
InChIInChI=1S/C9H10F2N2O/c1-5-2-7-12-6(9(10)11)3-8(14)13(7)4-5/h3,5,9H,2,4H2,1H3/t5-/m0/s1
InChIKeyYHEKWFULJUQWIF-YFKPBYRVSA-N
MW200.19 g/mol
LogP1.37
Rot. Bonds1

About (7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

(7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 125451128) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is (7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID125451128
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESC[C@H]1Cc2nc(C(F)F)cc(=O)n2C1
InChIInChI=1S/C9H10F2N2O/c1-5-2-7-12-6(9(10)11)3-8(14)13(7)4-5/h3,5,9H,2,4H2,1H3/t5-/m0/s1
InChIKeyYHEKWFULJUQWIF-YFKPBYRVSA-N
XLogP1.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4h,6h,7h,8h-pyrrolo[1,2-a]pyrimidin-4-one
CID 1571397
3-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 59284045
7,8-dihydro-3-methyl-2-(trifluoromethyl)pyrrolo[1,2-alpha]pyrimidin-4(6H)-one
CID 59284210
2-(trifluoromethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 156409759
(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
2-[(2,4-Dimethyl-6-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 113807725
2-(Difluoromethyl)-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CID 125450303
2-(Difluoromethyl)-7,7-dimethyl-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CID 125450342
(6R)-2-(difluoromethyl)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 125450434
(6S)-2-(difluoromethyl)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 125450435
(7S)-2-(difluoromethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450671

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of (7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 125451128) is (7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for (7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is C[C@H]1Cc2nc(C(F)F)cc(=O)n2C1.
What is the InChIKey of (7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is YHEKWFULJUQWIF-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-5-2-7-12-6(9(10)11)3-8(14)13(7)4-5/h3,5,9H,2,4H2,1H3/t5-/m0/s1.
What are the key properties of (7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
(7S)-2-(difluoromethyl)-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 200.19 g/mol, XLogP of 1.37, 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-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 125451128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).