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

C8H10F2N2O2 — CID 176672516

IUPAC(4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESCN1C(=O)C[C@H]2N(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/t5-/m1/s1
InChIKeyODAKBMZVGLWZTN-RXMQYKEDSA-N
MW204.18 g/mol
LogP0.68
Rot. Bonds

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

(4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione (PubChem CID 176672516) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is (4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name(4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione
PubChem CID176672516
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name(4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESCN1C(=O)C[C@H]2N(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/t5-/m1/s1
InChIKeyODAKBMZVGLWZTN-RXMQYKEDSA-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

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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
5,5-Difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione
CID 176672530
(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 (4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of (4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione (CID 176672516) is (4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for (4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for (4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione is CN1C(=O)C[C@H]2N(CCC2(F)F)C1=O.
What is the InChIKey of (4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione?
The InChIKey is ODAKBMZVGLWZTN-RXMQYKEDSA-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/t5-/m1/s1.
What are the key properties of (4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione?
(4aR)-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 (4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 176672516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).