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

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

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Launch Full Analysis

Related Compounds

tert-butyl 3-[[2-(2-benzylmorpholin-4-yl)pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate
CID 90100853
N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 141413091
(2S)-1-N-(2-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine
CID 86716813
2-[2-[(4-chloro-2-pyridinyl)amino]-4-pyridinyl]-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
CID 90098602
2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-N-pyrrolidin-3-ylpyrido[3,4-d]pyrimidin-4-amine
CID 90099861
2-(4-methoxyphenyl)-N-[4-[4-[[(3R)-pyrrolidin-3-yl]amino]pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]acetamide
CID 90098502
N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
CID 44594455
2-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-4-pyridinyl]-N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
CID 90099090
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083
(2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
CID 124945226
4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
CID 102604196
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735

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).