N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine

C23H22N6O — CID 166538822

IUPACN-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ncnc4ccc(N5CCNCC5)nc34)cc2)cc1
InChIInChI=1S/C23H22N6O/c1-2-4-18(5-3-1)30-19-8-6-17(7-9-19)27-23-22-20(25-16-26-23)10-11-21(28-22)29-14-12-24-13-15-29/h1-11,16,24H,12-15H2,(H,25,26,27)
InChIKeySHKIEBSGPGKSOD-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.97
Rot. Bonds5

About N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine

N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166538822) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID166538822
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ncnc4ccc(N5CCNCC5)nc34)cc2)cc1
InChIInChI=1S/C23H22N6O/c1-2-4-18(5-3-1)30-19-8-6-17(7-9-19)27-23-22-20(25-16-26-23)10-11-21(28-22)29-14-12-24-13-15-29/h1-11,16,24H,12-15H2,(H,25,26,27)
InChIKeySHKIEBSGPGKSOD-UHFFFAOYSA-N
XLogP3.97
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine (CID 166538822) is N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine is c1ccc(Oc2ccc(Nc3ncnc4ccc(N5CCNCC5)nc34)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is SHKIEBSGPGKSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-2-4-18(5-3-1)30-19-8-6-17(7-9-19)27-23-22-20(25-16-26-23)10-11-21(28-22)29-14-12-24-13-15-29/h1-11,16,24H,12-15H2,(H,25,26,27).
What are the key properties of N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine?
N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 398.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166538822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).