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

C14H11Cl2N3O2 — CID 135652217

IUPAC5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1nc2c(c(=O)[nH]1)C(c1ccc(Cl)c(Cl)c1)CC(=O)N2
InChIInChI=1S/C14H11Cl2N3O2/c1-6-17-13-12(14(21)18-6)8(5-11(20)19-13)7-2-3-9(15)10(16)4-7/h2-4,8H,5H2,1H3,(H2,17,18,19,20,21)
InChIKeyOQPOTXIMBFEOAX-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.86
Rot. Bonds1

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

5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135652217) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135652217
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1nc2c(c(=O)[nH]1)C(c1ccc(Cl)c(Cl)c1)CC(=O)N2
InChIInChI=1S/C14H11Cl2N3O2/c1-6-17-13-12(14(21)18-6)8(5-11(20)19-13)7-2-3-9(15)10(16)4-7/h2-4,8H,5H2,1H3,(H2,17,18,19,20,21)
InChIKeyOQPOTXIMBFEOAX-UHFFFAOYSA-N
XLogP2.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135652217) is 5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Cc1nc2c(c(=O)[nH]1)C(c1ccc(Cl)c(Cl)c1)CC(=O)N2.
What is the InChIKey of 5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is OQPOTXIMBFEOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c1-6-17-13-12(14(21)18-6)8(5-11(20)19-13)7-2-3-9(15)10(16)4-7/h2-4,8H,5H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 324.17 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135652217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).