7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine

C24H26N8 — CID 71111948

IUPAC7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine
SMILESCN1CCN(c2cnc3c(NCCc4ccncc4)nc(-c4ccccc4)nc3n2)CC1
InChIInChI=1S/C24H26N8/c1-31-13-15-32(16-14-31)20-17-27-21-23(26-12-9-18-7-10-25-11-8-18)29-22(30-24(21)28-20)19-5-3-2-4-6-19/h2-8,10-11,17H,9,12-16H2,1H3,(H,26,28,29,30)
InChIKeyMYEZTUZOCGCWCZ-UHFFFAOYSA-N
MW426.53 g/mol
LogP2.89
Rot. Bonds6

About 7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine

7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine (PubChem CID 71111948) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine
PubChem CID71111948
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine
SMILESCN1CCN(c2cnc3c(NCCc4ccncc4)nc(-c4ccccc4)nc3n2)CC1
InChIInChI=1S/C24H26N8/c1-31-13-15-32(16-14-31)20-17-27-21-23(26-12-9-18-7-10-25-11-8-18)29-22(30-24(21)28-20)19-5-3-2-4-6-19/h2-8,10-11,17H,9,12-16H2,1H3,(H,26,28,29,30)
InChIKeyMYEZTUZOCGCWCZ-UHFFFAOYSA-N
XLogP2.89
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine (CID 71111948) is 7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine is CN1CCN(c2cnc3c(NCCc4ccncc4)nc(-c4ccccc4)nc3n2)CC1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine?
The InChIKey is MYEZTUZOCGCWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-31-13-15-32(16-14-31)20-17-27-21-23(26-12-9-18-7-10-25-11-8-18)29-22(30-24(21)28-20)19-5-3-2-4-6-19/h2-8,10-11,17H,9,12-16H2,1H3,(H,26,28,29,30).
What are the key properties of 7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine?
7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine has a molecular weight of 426.53 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-2-phenyl-N-(2-pyridin-4-ylethyl)pteridin-4-amine is sourced from PubChem (CID 71111948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).