N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine

C23H23N7 — CID 16910730

IUPACN-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
SMILESCc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3nccnc23)cc1
InChIInChI=1S/C23H23N7/c1-17-7-9-18(10-8-17)26-22-20-21(25-12-11-24-20)27-23(28-22)30-15-13-29(14-16-30)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H,25,26,27,28)
InChIKeyXVJNZOWLONAGMV-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.80
Rot. Bonds4

About N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine

N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine (PubChem CID 16910730) has the molecular formula C23H23N7 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
PubChem CID16910730
Molecular FormulaC23H23N7
Molecular Weight397.49 g/mol
Exact Mass397.20
IUPAC NameN-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
SMILESCc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3nccnc23)cc1
InChIInChI=1S/C23H23N7/c1-17-7-9-18(10-8-17)26-22-20-21(25-12-11-24-20)27-23(28-22)30-15-13-29(14-16-30)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H,25,26,27,28)
InChIKeyXVJNZOWLONAGMV-UHFFFAOYSA-N
XLogP3.80
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine
CID 16820883
N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
CID 39336298
N-(4-chlorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]pteridin-4-amine
CID 16910658
N-(4-methylphenyl)-1-phenyl-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17016838
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)pteridin-4-amine
CID 16820881
N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine
CID 171653777
2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol
CID 16910970
trans-(1S,2S)-2-[3-[[2-(4-methylpiperazin-1-yl)pteridin-4-yl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 171653785
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine
CID 71690658
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
2-N-cycloheptyl-4-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16910766
N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine
CID 71478220

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine?
The IUPAC name of N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine (CID 16910730) is N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine is Cc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3nccnc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine?
The InChIKey is XVJNZOWLONAGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7/c1-17-7-9-18(10-8-17)26-22-20-21(25-12-11-24-20)27-23(28-22)30-15-13-29(14-16-30)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3,(H,25,26,27,28).
What are the key properties of N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine?
N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine has a molecular weight of 397.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine is sourced from PubChem (CID 16910730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).