4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine

C22H22N8 — CID 45495177

IUPAC4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine
SMILESc1ccc(N2CCN(c3nc(NCc4ccccn4)nc4nccnc34)CC2)cc1
InChIInChI=1S/C22H22N8/c1-2-7-18(8-3-1)29-12-14-30(15-13-29)21-19-20(25-11-10-24-19)27-22(28-21)26-16-17-6-4-5-9-23-17/h1-11H,12-16H2,(H,25,26,27,28)
InChIKeyPWNLJCUBIJUERK-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.75
Rot. Bonds5

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

4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine (PubChem CID 45495177) has the molecular formula C22H22N8 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine
PubChem CID45495177
Molecular FormulaC22H22N8
Molecular Weight398.47 g/mol
Exact Mass398.20
IUPAC Name4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine
SMILESc1ccc(N2CCN(c3nc(NCc4ccccn4)nc4nccnc34)CC2)cc1
InChIInChI=1S/C22H22N8/c1-2-7-18(8-3-1)29-12-14-30(15-13-29)21-19-20(25-11-10-24-19)27-22(28-21)26-16-17-6-4-5-9-23-17/h1-11H,12-16H2,(H,25,26,27,28)
InChIKeyPWNLJCUBIJUERK-UHFFFAOYSA-N
XLogP2.75
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pteridin-2-amine
CID 39347028
3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
CID 112951853
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112919106
N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321
4-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)aniline
CID 112719833
4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine
CID 39046785
2-N,4-N-diphenyl-6-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 67212949
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
4-methyl-N-(pyridin-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112919280
(4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
CID 109235071
2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200928
N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
CID 39336298

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine (CID 45495177) is 4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine is c1ccc(N2CCN(c3nc(NCc4ccccn4)nc4nccnc34)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine?
The InChIKey is PWNLJCUBIJUERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8/c1-2-7-18(8-3-1)29-12-14-30(15-13-29)21-19-20(25-11-10-24-19)27-22(28-21)26-16-17-6-4-5-9-23-17/h1-11H,12-16H2,(H,25,26,27,28).
What are the key properties of 4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine?
4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine has a molecular weight of 398.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine is sourced from PubChem (CID 45495177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).