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

C13H10F2N4O2 — CID 138505648

IUPAC2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)C(c1ccc(F)c(F)c1)CC(=O)N2
InChIInChI=1S/C13H10F2N4O2/c14-7-2-1-5(3-8(7)15)6-4-9(20)17-11-10(6)12(21)19-13(16)18-11/h1-3,6H,4H2,(H4,16,17,18,19,20,21)
InChIKeyDILYCRRGQJGBEA-UHFFFAOYSA-N
MW292.25 g/mol
LogP1.10
Rot. Bonds1

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

2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 138505648) has the molecular formula C13H10F2N4O2 and a molecular weight of 292.25 g/mol. Its IUPAC name is 2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID138505648
Molecular FormulaC13H10F2N4O2
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC Name2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)C(c1ccc(F)c(F)c1)CC(=O)N2
InChIInChI=1S/C13H10F2N4O2/c14-7-2-1-5(3-8(7)15)6-4-9(20)17-11-10(6)12(21)19-13(16)18-11/h1-3,6H,4H2,(H4,16,17,18,19,20,21)
InChIKeyDILYCRRGQJGBEA-UHFFFAOYSA-N
XLogP1.10
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 138505648) is 2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Nc1nc2c(c(=O)[nH]1)C(c1ccc(F)c(F)c1)CC(=O)N2.
What is the InChIKey of 2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is DILYCRRGQJGBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O2/c14-7-2-1-5(3-8(7)15)6-4-9(20)17-11-10(6)12(21)19-13(16)18-11/h1-3,6H,4H2,(H4,16,17,18,19,20,21).
What are the key properties of 2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 292.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 138505648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).