(5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione

C16H17ClF2N2O3 — CID 110188976

IUPAC(5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESCC(C)Oc1cc(N2C(=O)CC3[C@H](F)CCN3C2=O)c(F)cc1Cl
InChIInChI=1S/C16H17ClF2N2O3/c1-8(2)24-14-6-13(11(19)5-9(14)17)21-15(22)7-12-10(18)3-4-20(12)16(21)23/h5-6,8,10,12H,3-4,7H2,1-2H3/t10-,12?/m1/s1
InChIKeyPUJDBDVNJAAXLZ-RWANSRKNSA-N
MW358.77 g/mol
LogP3.54
Rot. Bonds3

About (5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione

(5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (PubChem CID 110188976) has the molecular formula C16H17ClF2N2O3 and a molecular weight of 358.77 g/mol. Its IUPAC name is (5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name(5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
PubChem CID110188976
Molecular FormulaC16H17ClF2N2O3
Molecular Weight358.77 g/mol
Exact Mass358.09
IUPAC Name(5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESCC(C)Oc1cc(N2C(=O)CC3[C@H](F)CCN3C2=O)c(F)cc1Cl
InChIInChI=1S/C16H17ClF2N2O3/c1-8(2)24-14-6-13(11(19)5-9(14)17)21-15(22)7-12-10(18)3-4-20(12)16(21)23/h5-6,8,10,12H,3-4,7H2,1-2H3/t10-,12?/m1/s1
InChIKeyPUJDBDVNJAAXLZ-RWANSRKNSA-N
XLogP3.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.77
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione with MolForge

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Related Compounds

2-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,3-diazinan-1-yl]phenoxy]-3-oxobutanamide
CID 162460152
2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 10926600
(6S,7aS)-2-(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-6-chloro-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 110193056
propan-2-yl 2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,3-diazinan-1-yl]benzoate
CID 23050733
2-(4-chloro-2-fluoro-5-methoxyphenyl)-5,7,8,8a-tetrahydroimidazo[1,5-c][1,3]thiazine-1,3-dione
CID 14255157
2-(4-chloro-2-fluoro-5-methoxyphenyl)-6,8-dimethyl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]oxazine-1,3-dione
CID 14255156
2-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 70420787
(8aS)-2-(4-chloro-2-fluoro-5-pyrimidin-2-yloxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
CID 22896128
2-[4-chloro-2-fluoro-5-(methoxymethyl)phenyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 171984940
ethyl 4-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxylate
CID 56690670
(cyclopentylideneamino) 2-[2-chloro-5-(3,5-dimethyl-2,6-dioxo-4-sulfanyl-1,3,5-triazinan-1-yl)-4-fluorophenoxy]propanoate
CID 175547605
propan-2-yl 5-[(1S,7aR)-1-methyl-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]oxazol-6-yl]-2-chloro-4-fluorobenzoate
CID 110192760

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of (5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (CID 110188976) is (5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for (5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for (5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is CC(C)Oc1cc(N2C(=O)CC3[C@H](F)CCN3C2=O)c(F)cc1Cl.
What is the InChIKey of (5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The InChIKey is PUJDBDVNJAAXLZ-RWANSRKNSA-N. The full InChI is InChI=1S/C16H17ClF2N2O3/c1-8(2)24-14-6-13(11(19)5-9(14)17)21-15(22)7-12-10(18)3-4-20(12)16(21)23/h5-6,8,10,12H,3-4,7H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of (5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
(5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione has a molecular weight of 358.77 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 110188976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).