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

C13H11BrN4O2 — CID 135472242

IUPAC2-amino-5-(3-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)C(c1cccc(Br)c1)CC(=O)N2
InChIInChI=1S/C13H11BrN4O2/c14-7-3-1-2-6(4-7)8-5-9(19)16-11-10(8)12(20)18-13(15)17-11/h1-4,8H,5H2,(H4,15,16,17,18,19,20)
InChIKeyATZSWNIZHAJEHX-UHFFFAOYSA-N
MW335.16 g/mol
LogP1.59
Rot. Bonds1

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

2-amino-5-(3-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135472242) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is 2-amino-5-(3-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(3-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135472242
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC Name2-amino-5-(3-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)C(c1cccc(Br)c1)CC(=O)N2
InChIInChI=1S/C13H11BrN4O2/c14-7-3-1-2-6(4-7)8-5-9(19)16-11-10(8)12(20)18-13(15)17-11/h1-4,8H,5H2,(H4,15,16,17,18,19,20)
InChIKeyATZSWNIZHAJEHX-UHFFFAOYSA-N
XLogP1.59
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 51.59
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-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(3-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135472242) is 2-amino-5-(3-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(3-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(3-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Nc1nc2c(c(=O)[nH]1)C(c1cccc(Br)c1)CC(=O)N2.
What is the InChIKey of 2-amino-5-(3-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is ATZSWNIZHAJEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2/c14-7-3-1-2-6(4-7)8-5-9(19)16-11-10(8)12(20)18-13(15)17-11/h1-4,8H,5H2,(H4,15,16,17,18,19,20).
What are the key properties of 2-amino-5-(3-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(3-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 335.16 g/mol, XLogP of 1.59, 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-bromophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135472242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).