6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C12H19ClN6O — CID 3688037

IUPAC6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C12H19ClN6O/c1-2-3-14-11-16-10(13)17-12(18-11)15-4-5-19-6-8-20-9-7-19/h2H,1,3-9H2,(H2,14,15,16,17,18)
InChIKeyRFDMOSMUQUNXFX-UHFFFAOYSA-N
MW298.78 g/mol
LogP0.87
Rot. Bonds7

About 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 3688037) has the molecular formula C12H19ClN6O and a molecular weight of 298.78 g/mol. Its IUPAC name is 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID3688037
Molecular FormulaC12H19ClN6O
Molecular Weight298.78 g/mol
Exact Mass298.13
IUPAC Name6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C12H19ClN6O/c1-2-3-14-11-16-10(13)17-12(18-11)15-4-5-19-6-8-20-9-7-19/h2H,1,3-9H2,(H2,14,15,16,17,18)
InChIKeyRFDMOSMUQUNXFX-UHFFFAOYSA-N
XLogP0.87
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 3688037) is 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Cl)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RFDMOSMUQUNXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN6O/c1-2-3-14-11-16-10(13)17-12(18-11)15-4-5-19-6-8-20-9-7-19/h2H,1,3-9H2,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 298.78 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3688037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).