4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C24H24FN5O2 — CID 11259052

IUPAC4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(NCCc3ccc(F)cc3)nc3ncccc23)cc1OC
InChIInChI=1S/C24H24FN5O2/c1-31-20-10-7-17(14-21(20)32-2)15-28-23-19-4-3-12-26-22(19)29-24(30-23)27-13-11-16-5-8-18(25)9-6-16/h3-10,12,14H,11,13,15H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyDSZASFPHQUEWQW-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.45
Rot. Bonds9

About 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine

4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 11259052) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID11259052
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(NCCc3ccc(F)cc3)nc3ncccc23)cc1OC
InChIInChI=1S/C24H24FN5O2/c1-31-20-10-7-17(14-21(20)32-2)15-28-23-19-4-3-12-26-22(19)29-24(30-23)27-13-11-16-5-8-18(25)9-6-16/h3-10,12,14H,11,13,15H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyDSZASFPHQUEWQW-UHFFFAOYSA-N
XLogP4.45
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

Piritrexim
CID 54369
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine
CID 447229
6-[(2-Benzyloxy-5-methoxy-phenyl)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 6481089
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
11N-112
CID 1474883
6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 2808988
6-[(3-Methoxy-5-trifluoromethylphenylamino)methyl]-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
CID 457342
6-[(2-Iodo-5-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 6481092
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-amine
CID 5329024
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5329042

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 11259052) is 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine is COc1ccc(CNc2nc(NCCc3ccc(F)cc3)nc3ncccc23)cc1OC.
What is the InChIKey of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is DSZASFPHQUEWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-31-20-10-7-17(14-21(20)32-2)15-28-23-19-4-3-12-26-22(19)29-24(30-23)27-13-11-16-5-8-18(25)9-6-16/h3-10,12,14H,11,13,15H2,1-2H3,(H2,26,27,28,29,30).
What are the key properties of 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 433.49 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-[2-(4-fluorophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 11259052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).