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

C14H11F2N3O2 — CID 135652575

IUPAC5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1nc2c(c(=O)[nH]1)C(c1cccc(F)c1F)CC(=O)N2
InChIInChI=1S/C14H11F2N3O2/c1-6-17-13-11(14(21)18-6)8(5-10(20)19-13)7-3-2-4-9(15)12(7)16/h2-4,8H,5H2,1H3,(H2,17,18,19,20,21)
InChIKeyQXJWDVSLTQBZPX-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.83
Rot. Bonds1

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

5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135652575) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135652575
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC Name5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1nc2c(c(=O)[nH]1)C(c1cccc(F)c1F)CC(=O)N2
InChIInChI=1S/C14H11F2N3O2/c1-6-17-13-11(14(21)18-6)8(5-10(20)19-13)7-3-2-4-9(15)12(7)16/h2-4,8H,5H2,1H3,(H2,17,18,19,20,21)
InChIKeyQXJWDVSLTQBZPX-UHFFFAOYSA-N
XLogP1.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135652575) is 5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Cc1nc2c(c(=O)[nH]1)C(c1cccc(F)c1F)CC(=O)N2.
What is the InChIKey of 5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is QXJWDVSLTQBZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c1-6-17-13-11(14(21)18-6)8(5-10(20)19-13)7-3-2-4-9(15)12(7)16/h2-4,8H,5H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 291.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135652575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).