5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione

C13H10ClN3O3 — CID 10613553

IUPAC5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESO=C1CC(c2ccccc2Cl)c2c([nH]c(=O)[nH]c2=O)N1
InChIInChI=1S/C13H10ClN3O3/c14-8-4-2-1-3-6(8)7-5-9(18)15-11-10(7)12(19)17-13(20)16-11/h1-4,7H,5H2,(H3,15,16,17,18,19,20)
InChIKeyRVJUEMJDWMQFFU-UHFFFAOYSA-N
MW291.69 g/mol
LogP1.19
Rot. Bonds1

About 5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione

5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 10613553) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID10613553
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESO=C1CC(c2ccccc2Cl)c2c([nH]c(=O)[nH]c2=O)N1
InChIInChI=1S/C13H10ClN3O3/c14-8-4-2-1-3-6(8)7-5-9(18)15-11-10(7)12(19)17-13(20)16-11/h1-4,7H,5H2,(H3,15,16,17,18,19,20)
InChIKeyRVJUEMJDWMQFFU-UHFFFAOYSA-N
XLogP1.19
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorobenzyl)-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426781
5-[(2-chlorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66549686
5-[(2,6-dichlorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66549879
7-amino-5-(4-chlorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 6494204
7-amino-5-(3-chloro-4-fluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134132343
7-amino-5-(3-chlorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 134143523
5-(2-chlorophenyl)-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135439638
2-Amino-5-(3-chlorophenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 135472148
5-(2-chlorophenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 3162452
7-amino-5-(2-chlorophenyl)-2,4-dihydroxy-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 612006
2-amino-5-(2-chloro-6-fluorophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135413797
7-amino-5-(2,6-dichlorophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 3466377

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione (CID 10613553) is 5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione is O=C1CC(c2ccccc2Cl)c2c([nH]c(=O)[nH]c2=O)N1.
What is the InChIKey of 5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is RVJUEMJDWMQFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-8-4-2-1-3-6(8)7-5-9(18)15-11-10(7)12(19)17-13(20)16-11/h1-4,7H,5H2,(H3,15,16,17,18,19,20).
What are the key properties of 5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 291.69 g/mol, XLogP of 1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 10613553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).