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

C13H10BrFN4O2 — CID 135511588

IUPAC2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)C(c1cc(Br)ccc1F)CC(=O)N2
InChIInChI=1S/C13H10BrFN4O2/c14-5-1-2-8(15)6(3-5)7-4-9(20)17-11-10(7)12(21)19-13(16)18-11/h1-3,7H,4H2,(H4,16,17,18,19,20,21)
InChIKeyCHFKANLEEOSYFE-UHFFFAOYSA-N
MW353.15 g/mol
LogP1.73
Rot. Bonds1

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

2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135511588) has the molecular formula C13H10BrFN4O2 and a molecular weight of 353.15 g/mol. Its IUPAC name is 2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135511588
Molecular FormulaC13H10BrFN4O2
Molecular Weight353.15 g/mol
Exact Mass352.00
IUPAC Name2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)C(c1cc(Br)ccc1F)CC(=O)N2
InChIInChI=1S/C13H10BrFN4O2/c14-5-1-2-8(15)6(3-5)7-4-9(20)17-11-10(7)12(21)19-13(16)18-11/h1-3,7H,4H2,(H4,16,17,18,19,20,21)
InChIKeyCHFKANLEEOSYFE-UHFFFAOYSA-N
XLogP1.73
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.15
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(3-bromophenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135472242
2-Amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505648
5-(5-bromo-2-fluorophenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 5299151
5-(3-bromophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135439648
5-(4-bromophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135472846
2-Amino-5-(4-fluorophenyl)-4,7-dioxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 135440796
2-Amino-4-hydroxy-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135407295
2,7-diamino-5-(4-bromophenyl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 136218036
2-amino-5-(3-fluorophenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135448548
2-Amino-5-(4-fluorophenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 135472117
2-amino-5-(2-fluorophenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135472301
3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-fluorophenyl)propanamide
CID 66802255

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135511588) is 2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Nc1nc2c(c(=O)[nH]1)C(c1cc(Br)ccc1F)CC(=O)N2.
What is the InChIKey of 2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is CHFKANLEEOSYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4O2/c14-5-1-2-8(15)6(3-5)7-4-9(20)17-11-10(7)12(21)19-13(16)18-11/h1-3,7H,4H2,(H4,16,17,18,19,20,21).
What are the key properties of 2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 353.15 g/mol, XLogP of 1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-bromo-2-fluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135511588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).