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

C17H23N5O — CID 4998539

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
SMILESCc1nc(NCCCN2CCOCC2)cc(-c2cccnc2)n1
InChIInChI=1S/C17H23N5O/c1-14-20-16(15-4-2-5-18-13-15)12-17(21-14)19-6-3-7-22-8-10-23-11-9-22/h2,4-5,12-13H,3,6-11H2,1H3,(H,19,20,21)
InChIKeyGBJBJFWGIVUBQL-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.98
Rot. Bonds6

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

2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 4998539) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID4998539
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
SMILESCc1nc(NCCCN2CCOCC2)cc(-c2cccnc2)n1
InChIInChI=1S/C17H23N5O/c1-14-20-16(15-4-2-5-18-13-15)12-17(21-14)19-6-3-7-22-8-10-23-11-9-22/h2,4-5,12-13H,3,6-11H2,1H3,(H,19,20,21)
InChIKeyGBJBJFWGIVUBQL-UHFFFAOYSA-N
XLogP1.98
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
CID 3599041
6-methyl-N-(3-morpholin-4-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798366
N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462641
N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridin-2-amine
CID 68563520
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618
N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4534225
2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
CID 82453993
2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
CID 135434900
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 122294216
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine (CID 4998539) is 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine is Cc1nc(NCCCN2CCOCC2)cc(-c2cccnc2)n1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is GBJBJFWGIVUBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14-20-16(15-4-2-5-18-13-15)12-17(21-14)19-6-3-7-22-8-10-23-11-9-22/h2,4-5,12-13H,3,6-11H2,1H3,(H,19,20,21).
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine?
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 313.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 4998539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).