N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine

C25H27N7O — CID 16820903

IUPACN-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine
SMILESCOc1ccccc1N1CCN(c2nc(Nc3ccc(C)c(C)c3)c3nccnc3n2)CC1
InChIInChI=1S/C25H27N7O/c1-17-8-9-19(16-18(17)2)28-24-22-23(27-11-10-26-22)29-25(30-24)32-14-12-31(13-15-32)20-6-4-5-7-21(20)33-3/h4-11,16H,12-15H2,1-3H3,(H,27,28,29,30)
InChIKeyYARMRPHTKHLTCY-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.12
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine

N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine (PubChem CID 16820903) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine
PubChem CID16820903
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine
SMILESCOc1ccccc1N1CCN(c2nc(Nc3ccc(C)c(C)c3)c3nccnc3n2)CC1
InChIInChI=1S/C25H27N7O/c1-17-8-9-19(16-18(17)2)28-24-22-23(27-11-10-26-22)29-25(30-24)32-14-12-31(13-15-32)20-6-4-5-7-21(20)33-3/h4-11,16H,12-15H2,1-3H3,(H,27,28,29,30)
InChIKeyYARMRPHTKHLTCY-UHFFFAOYSA-N
XLogP4.12
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine (CID 16820903) is N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine is COc1ccccc1N1CCN(c2nc(Nc3ccc(C)c(C)c3)c3nccnc3n2)CC1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine?
The InChIKey is YARMRPHTKHLTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-17-8-9-19(16-18(17)2)28-24-22-23(27-11-10-26-22)29-25(30-24)32-14-12-31(13-15-32)20-6-4-5-7-21(20)33-3/h4-11,16H,12-15H2,1-3H3,(H,27,28,29,30).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine?
N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine has a molecular weight of 441.54 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine is sourced from PubChem (CID 16820903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).