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

C20H16Cl2N4O2 — CID 137010094

IUPAC2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1Nc2nc(NCc3ccccc3)[nH]c(=O)c2CC1c1c(Cl)cccc1Cl
InChIInChI=1S/C20H16Cl2N4O2/c21-14-7-4-8-15(22)16(14)12-9-13-17(24-18(12)27)25-20(26-19(13)28)23-10-11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H3,23,24,25,26,27,28)
InChIKeyBNXZZKOCGKUNCB-UHFFFAOYSA-N
MW415.28 g/mol
LogP3.97
Rot. Bonds4

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

2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 137010094) has the molecular formula C20H16Cl2N4O2 and a molecular weight of 415.28 g/mol. Its IUPAC name is 2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID137010094
Molecular FormulaC20H16Cl2N4O2
Molecular Weight415.28 g/mol
Exact Mass414.07
IUPAC Name2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1Nc2nc(NCc3ccccc3)[nH]c(=O)c2CC1c1c(Cl)cccc1Cl
InChIInChI=1S/C20H16Cl2N4O2/c21-14-7-4-8-15(22)16(14)12-9-13-17(24-18(12)27)25-20(26-19(13)28)23-10-11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H3,23,24,25,26,27,28)
InChIKeyBNXZZKOCGKUNCB-UHFFFAOYSA-N
XLogP3.97
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 137010094) is 2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is O=C1Nc2nc(NCc3ccccc3)[nH]c(=O)c2CC1c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is BNXZZKOCGKUNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O2/c21-14-7-4-8-15(22)16(14)12-9-13-17(24-18(12)27)25-20(26-19(13)28)23-10-11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H3,23,24,25,26,27,28).
What are the key properties of 2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 415.28 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-(2,6-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 137010094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).