6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine

C12H19ClN4O — CID 104918892

IUPAC6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine
SMILESCC(CN1CCOCC1)Nc1cc(N)cc(Cl)n1
InChIInChI=1S/C12H19ClN4O/c1-9(8-17-2-4-18-5-3-17)15-12-7-10(14)6-11(13)16-12/h6-7,9H,2-5,8H2,1H3,(H3,14,15,16)
InChIKeyCUUSVPXPZOVPHP-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.45
Rot. Bonds4

About 6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine

6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine (PubChem CID 104918892) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine
PubChem CID104918892
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine
SMILESCC(CN1CCOCC1)Nc1cc(N)cc(Cl)n1
InChIInChI=1S/C12H19ClN4O/c1-9(8-17-2-4-18-5-3-17)15-12-7-10(14)6-11(13)16-12/h6-7,9H,2-5,8H2,1H3,(H3,14,15,16)
InChIKeyCUUSVPXPZOVPHP-UHFFFAOYSA-N
XLogP1.45
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine (CID 104918892) is 6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine is CC(CN1CCOCC1)Nc1cc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine?
The InChIKey is CUUSVPXPZOVPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-9(8-17-2-4-18-5-3-17)15-12-7-10(14)6-11(13)16-12/h6-7,9H,2-5,8H2,1H3,(H3,14,15,16).
What are the key properties of 6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine?
6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine has a molecular weight of 270.76 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,4-diamine is sourced from PubChem (CID 104918892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).