(5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C19H13F2N3O2 — CID 135774801

IUPAC(5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1C[C@H](c2cc(F)cc(F)c2)c2c(nc(-c3ccccc3)[nH]c2=O)N1
InChIInChI=1S/C19H13F2N3O2/c20-12-6-11(7-13(21)8-12)14-9-15(25)22-18-16(14)19(26)24-17(23-18)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,22,23,24,25,26)/t14-/m1/s1
InChIKeyIXBAXGDBHQEDAP-CQSZACIVSA-N
MW353.33 g/mol
LogP3.19
Rot. Bonds2

About (5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

(5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135774801) has the molecular formula C19H13F2N3O2 and a molecular weight of 353.33 g/mol. Its IUPAC name is (5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name(5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135774801
Molecular FormulaC19H13F2N3O2
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name(5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1C[C@H](c2cc(F)cc(F)c2)c2c(nc(-c3ccccc3)[nH]c2=O)N1
InChIInChI=1S/C19H13F2N3O2/c20-12-6-11(7-13(21)8-12)14-9-15(25)22-18-16(14)19(26)24-17(23-18)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,22,23,24,25,26)/t14-/m1/s1
InChIKeyIXBAXGDBHQEDAP-CQSZACIVSA-N
XLogP3.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(3-hydroxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774787
5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135651930
5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135651890
(5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774706
(5R)-5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135830457
(5R)-5-(2-chloro-6-fluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774729
(5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774740
(5R)-5-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135860355
(5R)-5-(3,5-difluorophenyl)-2-ethylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136910101
(5S)-5-[4-[(3-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136767556
5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135652561
2-phenyl-5-(2,3,4-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135652236

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of (5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135774801) is (5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for (5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for (5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is O=C1C[C@H](c2cc(F)cc(F)c2)c2c(nc(-c3ccccc3)[nH]c2=O)N1.
What is the InChIKey of (5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is IXBAXGDBHQEDAP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H13F2N3O2/c20-12-6-11(7-13(21)8-12)14-9-15(25)22-18-16(14)19(26)24-17(23-18)10-4-2-1-3-5-10/h1-8,14H,9H2,(H2,22,23,24,25,26)/t14-/m1/s1.
What are the key properties of (5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
(5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 353.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135774801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).