N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine

C23H26N6O — CID 45281110

IUPACN-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
SMILESCN(CCCn1cnc2c(OCc3ccccc3)ncnc21)CCc1ccccn1
InChIInChI=1S/C23H26N6O/c1-28(15-11-20-10-5-6-12-24-20)13-7-14-29-18-27-21-22(29)25-17-26-23(21)30-16-19-8-3-2-4-9-19/h2-6,8-10,12,17-18H,7,11,13-16H2,1H3
InChIKeyWGTOEDLDJXDYFC-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.36
Rot. Bonds10

About N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine

N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine (PubChem CID 45281110) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
PubChem CID45281110
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
SMILESCN(CCCn1cnc2c(OCc3ccccc3)ncnc21)CCc1ccccn1
InChIInChI=1S/C23H26N6O/c1-28(15-11-20-10-5-6-12-24-20)13-7-14-29-18-27-21-22(29)25-17-26-23(21)30-16-19-8-3-2-4-9-19/h2-6,8-10,12,17-18H,7,11,13-16H2,1H3
InChIKeyWGTOEDLDJXDYFC-UHFFFAOYSA-N
XLogP3.36
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
The IUPAC name of N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine (CID 45281110) is N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine is CN(CCCn1cnc2c(OCc3ccccc3)ncnc21)CCc1ccccn1.
What is the InChIKey of N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
The InChIKey is WGTOEDLDJXDYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-28(15-11-20-10-5-6-12-24-20)13-7-14-29-18-27-21-22(29)25-17-26-23(21)30-16-19-8-3-2-4-9-19/h2-6,8-10,12,17-18H,7,11,13-16H2,1H3.
What are the key properties of N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine has a molecular weight of 402.50 g/mol, XLogP of 3.36, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-phenylmethoxypurin-9-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 45281110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).