2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione

C19H13FN4O2 — CID 137010091

IUPAC2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=c1[nH]c2nc(Nc3ccccc3)[nH]c(=O)c2cc1-c1ccc(F)cc1
InChIInChI=1S/C19H13FN4O2/c20-12-8-6-11(7-9-12)14-10-15-16(22-17(14)25)23-19(24-18(15)26)21-13-4-2-1-3-5-13/h1-10H,(H3,21,22,23,24,25,26)
InChIKeyRDQRDSSEEMJHDZ-UHFFFAOYSA-N
MW348.34 g/mol
LogP3.16
Rot. Bonds3

About 2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione

2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 137010091) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is 2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID137010091
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC Name2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=c1[nH]c2nc(Nc3ccccc3)[nH]c(=O)c2cc1-c1ccc(F)cc1
InChIInChI=1S/C19H13FN4O2/c20-12-8-6-11(7-9-12)14-10-15-16(22-17(14)25)23-19(24-18(15)26)21-13-4-2-1-3-5-13/h1-10H,(H3,21,22,23,24,25,26)
InChIKeyRDQRDSSEEMJHDZ-UHFFFAOYSA-N
XLogP3.16
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylanilino)-4(3H)-quinazolinone
CID 135439663
4-[[4-[(2,6-Difluorophenyl)methyl]-6-hydroxy-pyrimidin-2-yl]amino]benzonitrile
CID 136002590
2-Anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137010089
2-(3,5-difluoroanilino)-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 162646842
2-(Phenylamino)-4(3H)-quinazolinone
CID 135456660
3-anilinoisoquinolin-1(2H)-one
CID 2142225
3-(4-fluoroanilino)-2H-isoquinolin-1-one
CID 2323972
5-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 135400037
6-methyl-5-(3-methylbutyl)-2-[(4-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135462206
N-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-N'-[2-(trifluoromethyl)phenyl]guanidine
CID 135500932
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
CID 135846106
4-[[4-[(2,6-Difluorophenyl)methyl]-6-hydroxy-5-methyl-pyrimidin-2-yl]amino]benzonitrile
CID 136002591

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione (CID 137010091) is 2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione is O=c1[nH]c2nc(Nc3ccccc3)[nH]c(=O)c2cc1-c1ccc(F)cc1.
What is the InChIKey of 2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is RDQRDSSEEMJHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-12-8-6-11(7-9-12)14-10-15-16(22-17(14)25)23-19(24-18(15)26)21-13-4-2-1-3-5-13/h1-10H,(H3,21,22,23,24,25,26).
What are the key properties of 2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione?
2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 348.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 137010091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).