2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile

C25H28N8O — CID 78323515

IUPAC2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)cnc1NC1CCCC1
InChIInChI=1S/C25H28N8O/c26-14-18-13-19(15-29-24(18)30-20-3-1-2-4-20)23-7-8-27-25(32-23)31-21-5-6-22(28-16-21)17-33-9-11-34-12-10-33/h5-8,13,15-16,20H,1-4,9-12,17H2,(H,29,30)(H,27,31,32)
InChIKeyVYXJBNDKQCYINK-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.74
Rot. Bonds7

About 2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile

2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile (PubChem CID 78323515) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
PubChem CID78323515
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)cnc1NC1CCCC1
InChIInChI=1S/C25H28N8O/c26-14-18-13-19(15-29-24(18)30-20-3-1-2-4-20)23-7-8-27-25(32-23)31-21-5-6-22(28-16-21)17-33-9-11-34-12-10-33/h5-8,13,15-16,20H,1-4,9-12,17H2,(H,29,30)(H,27,31,32)
InChIKeyVYXJBNDKQCYINK-UHFFFAOYSA-N
XLogP3.74
TPSA111.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

5-[2-[[6-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]-2-(3-fluoropyrrolidin-1-yl)pyridine-3-carbonitrile
CID 142415633
4-[6-[methyl(oxolan-3-yl)amino]-5-pent-1-ynyl-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]pyrimidin-2-amine
CID 144686745
2-(methylamino)-5-[2-[[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 78322559
4-(5-ethynyl-6-pyrrolidin-1-yl-3-pyridinyl)-N-[2-(morpholin-4-ylmethyl)-4-pyridinyl]pyrimidin-2-amine
CID 144686744
2-(2-methoxyethylamino)-5-[2-[[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 158926781
2-(oxan-4-yloxy)-5-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)amino]pyrimidin-4-yl]benzonitrile
CID 66570877
5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
CID 56593541
2-(oxan-4-yloxy)-5-[2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile
CID 66570879
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[6-(2-oxo-3-pyrrolidin-1-ylpropyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 158310104
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[[6-(3-hydroxy-2-oxopropyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 158792508
2-(3-fluoropyrrolidin-1-yl)-5-[2-[(2-morpholin-4-yl-4-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 118620110
4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine
CID 70647980

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile (CID 78323515) is 2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile is N#Cc1cc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)cnc1NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is VYXJBNDKQCYINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c26-14-18-13-19(15-29-24(18)30-20-3-1-2-4-20)23-7-8-27-25(32-23)31-21-5-6-22(28-16-21)17-33-9-11-34-12-10-33/h5-8,13,15-16,20H,1-4,9-12,17H2,(H,29,30)(H,27,31,32).
What are the key properties of 2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile?
2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 456.55 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-5-[2-[[6-(morpholin-4-ylmethyl)-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 78323515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).