N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine

C21H24N6O — CID 4534225

IUPACN-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
SMILESc1ccc(-c2cc(NCCCN3CCOCC3)nc(-c3ccncc3)n2)nc1
InChIInChI=1S/C21H24N6O/c1-2-7-23-18(4-1)19-16-20(24-8-3-11-27-12-14-28-15-13-27)26-21(25-19)17-5-9-22-10-6-17/h1-2,4-7,9-10,16H,3,8,11-15H2,(H,24,25,26)
InChIKeyABYIYHCAZTYTNQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.73
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine

N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 4534225) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID4534225
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
SMILESc1ccc(-c2cc(NCCCN3CCOCC3)nc(-c3ccncc3)n2)nc1
InChIInChI=1S/C21H24N6O/c1-2-7-23-18(4-1)19-16-20(24-8-3-11-27-12-14-28-15-13-27)26-21(25-19)17-5-9-22-10-6-17/h1-2,4-7,9-10,16H,3,8,11-15H2,(H,24,25,26)
InChIKeyABYIYHCAZTYTNQ-UHFFFAOYSA-N
XLogP2.73
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
CID 3599041
4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine
CID 24797792
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 4998539
N-cyclopropyl-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4107604
3-[(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)amino]propan-1-ol
CID 5069912
2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol
CID 3565841
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
N-(3-morpholin-4-ylpropyl)-5-pyridin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92577605
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904
6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852227

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine (CID 4534225) is N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine is c1ccc(-c2cc(NCCCN3CCOCC3)nc(-c3ccncc3)n2)nc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is ABYIYHCAZTYTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-2-7-23-18(4-1)19-16-20(24-8-3-11-27-12-14-28-15-13-27)26-21(25-19)17-5-9-22-10-6-17/h1-2,4-7,9-10,16H,3,8,11-15H2,(H,24,25,26).
What are the key properties of N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine?
N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 376.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 4534225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).