2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine

C15H18N4O — CID 63179153

IUPAC2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C15H18N4O/c16-12-5-6-17-15(11-12)18-13-1-3-14(4-2-13)19-7-9-20-10-8-19/h1-6,11H,7-10H2,(H3,16,17,18)
InChIKeyHNTITIVMWLHDCZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.24
Rot. Bonds3

About 2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine

2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine (PubChem CID 63179153) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
PubChem CID63179153
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C15H18N4O/c16-12-5-6-17-15(11-12)18-13-1-3-14(4-2-13)19-7-9-20-10-8-19/h1-6,11H,7-10H2,(H3,16,17,18)
InChIKeyHNTITIVMWLHDCZ-UHFFFAOYSA-N
XLogP2.24
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117076740
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839
1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 71036344
6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
CID 117089780
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
2-(3-aminophenyl)-6-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117087554
2-methylsulfanyl-4-[[2-(4-morpholin-4-ylanilino)-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 117076406
5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine
CID 63179447
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 121468961
5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
CID 152621698
5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 80811982

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine (CID 63179153) is 2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine is Nc1ccnc(Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine?
The InChIKey is HNTITIVMWLHDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-12-5-6-17-15(11-12)18-13-1-3-14(4-2-13)19-7-9-20-10-8-19/h1-6,11H,7-10H2,(H3,16,17,18).
What are the key properties of 2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine?
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine is sourced from PubChem (CID 63179153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).