5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione

C8H10F2N2O2 — CID 176672530

IUPAC5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESCN1C(=O)CC2N(CCC2(F)F)C1=O
InChIInChI=1S/C8H10F2N2O2/c1-11-6(13)4-5-8(9,10)2-3-12(5)7(11)14/h5H,2-4H2,1H3
InChIKeyODAKBMZVGLWZTN-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.68
Rot. Bonds

About 5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione

5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione (PubChem CID 176672530) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione
PubChem CID176672530
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESCN1C(=O)CC2N(CCC2(F)F)C1=O
InChIInChI=1S/C8H10F2N2O2/c1-11-6(13)4-5-8(9,10)2-3-12(5)7(11)14/h5H,2-4H2,1H3
InChIKeyODAKBMZVGLWZTN-UHFFFAOYSA-N
XLogP0.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione with MolForge

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Related Compounds

2-Methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione
CID 395093
6-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 168985920
(4aS)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione
CID 176672485
(4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione
CID 176672516
(4aR,6S)-6-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 177078544
2-(2,2,2-trifluoroethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 115579307
2-(2,2,2-trifluoroethyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 116013131
2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 61372322
2-Methyl-1,3,4,4a,5,6-hexahydropyrrolo[1,2-c]pyrimidin-7-one
CID 168191573
(4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 168985931
(4aR)-2-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 176672482
(4aS)-2-methyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 176672508

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione (CID 176672530) is 5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione is CN1C(=O)CC2N(CCC2(F)F)C1=O.
What is the InChIKey of 5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione?
The InChIKey is ODAKBMZVGLWZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-11-6(13)4-5-8(9,10)2-3-12(5)7(11)14/h5H,2-4H2,1H3.
What are the key properties of 5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione?
5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione has a molecular weight of 204.18 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 176672530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).