2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine

C22H26N6O — CID 90098882

IUPAC2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(CC2CN(c3nc(NC4CCNC4)c4ccncc4n3)CCO2)cc1
InChIInChI=1S/C22H26N6O/c1-2-4-16(5-3-1)12-18-15-28(10-11-29-18)22-26-20-14-24-9-7-19(20)21(27-22)25-17-6-8-23-13-17/h1-5,7,9,14,17-18,23H,6,8,10-13,15H2,(H,25,26,27)
InChIKeyWDYOOEDTNIVGPL-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.25
Rot. Bonds5

About 2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine

2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 90098882) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID90098882
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(CC2CN(c3nc(NC4CCNC4)c4ccncc4n3)CCO2)cc1
InChIInChI=1S/C22H26N6O/c1-2-4-16(5-3-1)12-18-15-28(10-11-29-18)22-26-20-14-24-9-7-19(20)21(27-22)25-17-6-8-23-13-17/h1-5,7,9,14,17-18,23H,6,8,10-13,15H2,(H,25,26,27)
InChIKeyWDYOOEDTNIVGPL-UHFFFAOYSA-N
XLogP2.25
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine (CID 90098882) is 2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine is c1ccc(CC2CN(c3nc(NC4CCNC4)c4ccncc4n3)CCO2)cc1.
What is the InChIKey of 2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is WDYOOEDTNIVGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-2-4-16(5-3-1)12-18-15-28(10-11-29-18)22-26-20-14-24-9-7-19(20)21(27-22)25-17-6-8-23-13-17/h1-5,7,9,14,17-18,23H,6,8,10-13,15H2,(H,25,26,27).
What are the key properties of 2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine?
2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 390.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylmorpholin-4-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 90098882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).