7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione

C20H15ClN4O2 — CID 21198168

IUPAC7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESNc1ccc2c(=O)n(Cc3cccc(Cl)c3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C20H15ClN4O2/c21-14-6-4-5-13(11-14)12-24-19(26)16-9-10-17(22)23-18(16)25(20(24)27)15-7-2-1-3-8-15/h1-11H,12H2,(H2,22,23)
InChIKeyMYFYGGMICBXTND-UHFFFAOYSA-N
MW378.82 g/mol
LogP2.83
Rot. Bonds3

About 7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione

7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 21198168) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID21198168
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESNc1ccc2c(=O)n(Cc3cccc(Cl)c3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C20H15ClN4O2/c21-14-6-4-5-13(11-14)12-24-19(26)16-9-10-17(22)23-18(16)25(20(24)27)15-7-2-1-3-8-15/h1-11H,12H2,(H2,22,23)
InChIKeyMYFYGGMICBXTND-UHFFFAOYSA-N
XLogP2.83
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-amino-3-benzyl-1-(3,5-difluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 21198154
3-[(3-chlorophenyl)methyl]-7-methyl-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17251417
7-amino-1-(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 21198164
1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione
CID 17172499
1-benzyl-7-[(3-fluorophenyl)methyl]-3-phenylpurine-2,6-dione
CID 46061280
1-benzyl-3-(4-chlorophenyl)-7-[(3-methylphenyl)methyl]purine-2,6-dione
CID 42862810
1-(3-chlorophenyl)-3-[(5-methyl-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 69373361
1,7-dibenzyl-8-benzylsulfanyl-3-phenylpurine-2,6-dione
CID 12946548
6-amino-2-[(3-chlorophenyl)methyl]pyridazin-3-one
CID 116788203
3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one
CID 22484847
2-benzyl-4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-one
CID 3772206
2-[(3-chlorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 2201201

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione (CID 21198168) is 7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione is Nc1ccc2c(=O)n(Cc3cccc(Cl)c3)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MYFYGGMICBXTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-14-6-4-5-13(11-14)12-24-19(26)16-9-10-17(22)23-18(16)25(20(24)27)15-7-2-1-3-8-15/h1-11H,12H2,(H2,22,23).
What are the key properties of 7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 378.82 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-[(3-chlorophenyl)methyl]-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 21198168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).