5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine

C24H26N6O — CID 10341735

IUPAC5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine
SMILESCN(Cc1ccccc1)Cc1c(N)ncnc1C#Cc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C24H26N6O/c1-29(16-20-5-3-2-4-6-20)17-21-22(27-18-28-24(21)25)9-7-19-8-10-23(26-15-19)30-11-13-31-14-12-30/h2-6,8,10,15,18H,11-14,16-17H2,1H3,(H2,25,27,28)
InChIKeyRMJMASZPTKMXOJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.32
Rot. Bonds5

About 5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine

5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine (PubChem CID 10341735) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine
PubChem CID10341735
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine
SMILESCN(Cc1ccccc1)Cc1c(N)ncnc1C#Cc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C24H26N6O/c1-29(16-20-5-3-2-4-6-20)17-21-22(27-18-28-24(21)25)9-7-19-8-10-23(26-15-19)30-11-13-31-14-12-30/h2-6,8,10,15,18H,11-14,16-17H2,1H3,(H2,25,27,28)
InChIKeyRMJMASZPTKMXOJ-UHFFFAOYSA-N
XLogP2.32
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine?
The IUPAC name of 5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine (CID 10341735) is 5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine.
What is the SMILES notation for 5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine?
The canonical SMILES for 5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine is CN(Cc1ccccc1)Cc1c(N)ncnc1C#Cc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine?
The InChIKey is RMJMASZPTKMXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-29(16-20-5-3-2-4-6-20)17-21-22(27-18-28-24(21)25)9-7-19-8-10-23(26-15-19)30-11-13-31-14-12-30/h2-6,8,10,15,18H,11-14,16-17H2,1H3,(H2,25,27,28).
What are the key properties of 5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine?
5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine has a molecular weight of 414.51 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(methyl)amino]methyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine is sourced from PubChem (CID 10341735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).