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

C13H11FN4O2 — CID 135472301

IUPAC2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)C(c1ccccc1F)CC(=O)N2
InChIInChI=1S/C13H11FN4O2/c14-8-4-2-1-3-6(8)7-5-9(19)16-11-10(7)12(20)18-13(15)17-11/h1-4,7H,5H2,(H4,15,16,17,18,19,20)
InChIKeyQAMXVEWKCSAABG-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.97
Rot. Bonds1

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

2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135472301) has the molecular formula C13H11FN4O2 and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135472301
Molecular FormulaC13H11FN4O2
Molecular Weight274.25 g/mol
Exact Mass274.09
IUPAC Name2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)C(c1ccccc1F)CC(=O)N2
InChIInChI=1S/C13H11FN4O2/c14-8-4-2-1-3-6(8)7-5-9(19)16-11-10(7)12(20)18-13(15)17-11/h1-4,7H,5H2,(H4,15,16,17,18,19,20)
InChIKeyQAMXVEWKCSAABG-UHFFFAOYSA-N
XLogP0.97
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione with MolForge

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Related Compounds

5-Phenyl-5H-pyrano[2,3-d;6,5-d']dipyrimidine-4,6-diol
CID 2920563
2,6-Diamino-5-phenylpyrimidin-4(1H)-one
CID 135448367
5-(4-fluorophenyl)-4-hydroxy-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135439631
Stk053285
CID 4578840
2-Amino-5-(3-chlorophenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 135472148
2-amino-5-(3-bromophenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135472242
3-amino-9-fluoro-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838209
2-Amino-5-(3-butylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505636
2-Amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505648
2-Amino-5-(3-ethylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550466
2-Amino-5-(3-propylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550471
4-(4-fluorophenyl)-7-methyl-3,4-dihydro-2H-dipyrido[1,2-a:3',2'-e]pyrimidine-2,5(1H)-dione
CID 5297284

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135472301) is 2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Nc1nc2c(c(=O)[nH]1)C(c1ccccc1F)CC(=O)N2.
What is the InChIKey of 2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is QAMXVEWKCSAABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c14-8-4-2-1-3-6(8)7-5-9(19)16-11-10(7)12(20)18-13(15)17-11/h1-4,7H,5H2,(H4,15,16,17,18,19,20).
What are the key properties of 2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 274.25 g/mol, XLogP of 0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135472301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).