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

C13H12N4O2 — CID 137222916

IUPAC2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)CC(c1ccccc1)C(=O)N2
InChIInChI=1S/C13H12N4O2/c14-13-16-10-9(12(19)17-13)6-8(11(18)15-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H4,14,15,16,17,18,19)
InChIKeyJWYPUPUQUUOADQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.63
Rot. Bonds1

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

2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 137222916) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID137222916
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)CC(c1ccccc1)C(=O)N2
InChIInChI=1S/C13H12N4O2/c14-13-16-10-9(12(19)17-13)6-8(11(18)15-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H4,14,15,16,17,18,19)
InChIKeyJWYPUPUQUUOADQ-UHFFFAOYSA-N
XLogP0.63
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 137222916) is 2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Nc1nc2c(c(=O)[nH]1)CC(c1ccccc1)C(=O)N2.
What is the InChIKey of 2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is JWYPUPUQUUOADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-13-16-10-9(12(19)17-13)6-8(11(18)15-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H4,14,15,16,17,18,19).
What are the key properties of 2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 256.26 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 137222916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).