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

C19H14F2N4O2 — CID 137010089

IUPAC2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1Nc2nc(Nc3ccccc3)[nH]c(=O)c2CC1c1c(F)cccc1F
InChIInChI=1S/C19H14F2N4O2/c20-13-7-4-8-14(21)15(13)11-9-12-16(23-17(11)26)24-19(25-18(12)27)22-10-5-2-1-3-6-10/h1-8,11H,9H2,(H3,22,23,24,25,26,27)
InChIKeyGVHZZCIRWQSAQY-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.07
Rot. Bonds3

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

2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 137010089) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID137010089
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1Nc2nc(Nc3ccccc3)[nH]c(=O)c2CC1c1c(F)cccc1F
InChIInChI=1S/C19H14F2N4O2/c20-13-7-4-8-14(21)15(13)11-9-12-16(23-17(11)26)24-19(25-18(12)27)22-10-5-2-1-3-6-10/h1-8,11H,9H2,(H3,22,23,24,25,26,27)
InChIKeyGVHZZCIRWQSAQY-UHFFFAOYSA-N
XLogP3.07
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[1-(2,6-Difluorophenyl)ethyl]-6-hydroxy-5-methyl-pyrimidin-2-yl]amino]benzonitrile
CID 135499849
2-Anilino-6-(4-fluorophenyl)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137010091
4-[[4-[1-(2,6-Difluorophenyl)ethyl]-6-hydroxy-pyrimidin-2-yl]amino]benzonitrile
CID 136002592
N-(5-benzyl-6-methyl-4-oxo-1,4-dihydro-2-pyrimidinyl)-N'-(3-methylphenyl)guanidine
CID 135433238
4-amino-2-(3-ethyl-4-methylanilino)-5-(3-phenylpropyl)-1H-pyrimidin-6-one
CID 136184540
4-amino-5-benzyl-2-(3-ethyl-4-methylanilino)-1H-pyrimidin-6-one
CID 136184542
4-benzoyl-3-(4-fluoroanilino)-2H-isoquinolin-1-one
CID 2384329
5-(4-fluorophenyl)-4-hydroxy-1,3,7-trimethyl-N-(2-methylphenyl)-2-oxo-1,2,3,5-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 5127495
5-phenyl-1H,2H,3H,4H,5H,10H-pyrimido[4,5-b]quinoline-2,4-dione
CID 73352063
2-(4-Fluoroanilino)-4-(4-fluorophenyl)-6-hydroxy-pyrimidine-5-carbonitrile
CID 135434871
2-anilino-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135524729
2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
CID 135524732

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 137010089) is 2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is O=C1Nc2nc(Nc3ccccc3)[nH]c(=O)c2CC1c1c(F)cccc1F.
What is the InChIKey of 2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is GVHZZCIRWQSAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c20-13-7-4-8-14(21)15(13)11-9-12-16(23-17(11)26)24-19(25-18(12)27)22-10-5-2-1-3-6-10/h1-8,11H,9H2,(H3,22,23,24,25,26,27).
What are the key properties of 2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 368.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-(2,6-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 137010089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).