N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine

C22H30N8 — CID 71111579

IUPACN,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1nc(-c2ccccc2)nc2nc(N3CCN(C)CC3)cnc12
InChIInChI=1S/C22H30N8/c1-27(2)10-13-29(4)22-19-21(25-20(26-22)17-8-6-5-7-9-17)24-18(16-23-19)30-14-11-28(3)12-15-30/h5-9,16H,10-15H2,1-4H3
InChIKeyYUOJFQSPOTWKAH-UHFFFAOYSA-N
MW406.54 g/mol
LogP1.84
Rot. Bonds6

About N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine (PubChem CID 71111579) has the molecular formula C22H30N8 and a molecular weight of 406.54 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine
PubChem CID71111579
Molecular FormulaC22H30N8
Molecular Weight406.54 g/mol
Exact Mass406.26
IUPAC NameN,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1nc(-c2ccccc2)nc2nc(N3CCN(C)CC3)cnc12
InChIInChI=1S/C22H30N8/c1-27(2)10-13-29(4)22-19-21(25-20(26-22)17-8-6-5-7-9-17)24-18(16-23-19)30-14-11-28(3)12-15-30/h5-9,16H,10-15H2,1-4H3
InChIKeyYUOJFQSPOTWKAH-UHFFFAOYSA-N
XLogP1.84
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine (CID 71111579) is N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine is CN(C)CCN(C)c1nc(-c2ccccc2)nc2nc(N3CCN(C)CC3)cnc12.
What is the InChIKey of N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine?
The InChIKey is YUOJFQSPOTWKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8/c1-27(2)10-13-29(4)22-19-21(25-20(26-22)17-8-6-5-7-9-17)24-18(16-23-19)30-14-11-28(3)12-15-30/h5-9,16H,10-15H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine has a molecular weight of 406.54 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[7-(4-methylpiperazin-1-yl)-2-phenylpteridin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 71111579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).