7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C16H15Cl2N5O2 — CID 11632315

IUPAC7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3cc(Cl)ccc3Cl)c(CN)c(N)nc2n(C)c1=O
InChIInChI=1S/C16H15Cl2N5O2/c1-22-14-12(15(24)23(2)16(22)25)11(9(6-19)13(20)21-14)8-5-7(17)3-4-10(8)18/h3-5H,6,19H2,1-2H3,(H2,20,21)
InChIKeyPVBIBWAMBOYUKT-UHFFFAOYSA-N
MW380.24 g/mol
LogP1.65
Rot. Bonds2

About 7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 11632315) has the molecular formula C16H15Cl2N5O2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID11632315
Molecular FormulaC16H15Cl2N5O2
Molecular Weight380.24 g/mol
Exact Mass379.06
IUPAC Name7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3cc(Cl)ccc3Cl)c(CN)c(N)nc2n(C)c1=O
InChIInChI=1S/C16H15Cl2N5O2/c1-22-14-12(15(24)23(2)16(22)25)11(9(6-19)13(20)21-14)8-5-7(17)3-4-10(8)18/h3-5H,6,19H2,1-2H3,(H2,20,21)
InChIKeyPVBIBWAMBOYUKT-UHFFFAOYSA-N
XLogP1.65
TPSA108.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-Amino-6-(aminomethyl)-5-(2-chloro-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11516085
7-Amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11529688
7-Amino-6-(aminomethyl)-5-(2,3-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11531002
2-[7-Amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile
CID 11544575
7-Amino-6-(aminomethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11581694
7-Amino-6-(aminomethyl)-5-(2-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11595401
7-Amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11508177
N-[(4-Chlorophenyl)methyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 16008590
N-Benzyl-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 16008609
7-amino-5-(4-chlorophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 5493645
3-Benzyl-6-(4-chlorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 44371210
5-(4-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 14998436

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 11632315) is 7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3cc(Cl)ccc3Cl)c(CN)c(N)nc2n(C)c1=O.
What is the InChIKey of 7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PVBIBWAMBOYUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O2/c1-22-14-12(15(24)23(2)16(22)25)11(9(6-19)13(20)21-14)8-5-7(17)3-4-10(8)18/h3-5H,6,19H2,1-2H3,(H2,20,21).
What are the key properties of 7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 380.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(aminomethyl)-5-(2,5-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11632315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).