N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine

C23H23N7O — CID 39347028

IUPACN-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine
SMILESCOc1cccc(Nc2nc(N3CCN(c4ccccc4)CC3)c3nccnc3n2)c1
InChIInChI=1S/C23H23N7O/c1-31-19-9-5-6-17(16-19)26-23-27-21-20(24-10-11-25-21)22(28-23)30-14-12-29(13-15-30)18-7-3-2-4-8-18/h2-11,16H,12-15H2,1H3,(H,25,26,27,28)
InChIKeyZUJKDHXVGFOXGD-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.50
Rot. Bonds5

About N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine

N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine (PubChem CID 39347028) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine
PubChem CID39347028
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC NameN-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine
SMILESCOc1cccc(Nc2nc(N3CCN(c4ccccc4)CC3)c3nccnc3n2)c1
InChIInChI=1S/C23H23N7O/c1-31-19-9-5-6-17(16-19)26-23-27-21-20(24-10-11-25-21)22(28-23)30-14-12-29(13-15-30)18-7-3-2-4-8-18/h2-11,16H,12-15H2,1H3,(H,25,26,27,28)
InChIKeyZUJKDHXVGFOXGD-UHFFFAOYSA-N
XLogP3.50
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine
CID 45495177
N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874751
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
N-(3-methoxyphenyl)-4-morpholin-4-yl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
CID 11656486
4-N-(4-chloro-2-methylphenyl)-2-N-(3-methoxyphenyl)pteridine-2,4-diamine
CID 16911086
4-N-(3-methoxyphenyl)-2-N-(4-piperidin-1-ylphenyl)quinazoline-2,4-diamine
CID 54514405
[6-(3-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109159643
6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3163546
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine
CID 16820883
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580341
2-N-(3-methoxyphenyl)-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112904686

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine (CID 39347028) is N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine is COc1cccc(Nc2nc(N3CCN(c4ccccc4)CC3)c3nccnc3n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine?
The InChIKey is ZUJKDHXVGFOXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-31-19-9-5-6-17(16-19)26-23-27-21-20(24-10-11-25-21)22(28-23)30-14-12-29(13-15-30)18-7-3-2-4-8-18/h2-11,16H,12-15H2,1H3,(H,25,26,27,28).
What are the key properties of N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine?
N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine has a molecular weight of 413.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine is sourced from PubChem (CID 39347028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).