6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine

C13H24ClN5O — CID 122590128

IUPAC6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine
SMILESClC1=NCN(N2CCOCC2)CN1NC1CCCCC1
InChIInChI=1S/C13H24ClN5O/c14-13-15-10-18(17-6-8-20-9-7-17)11-19(13)16-12-4-2-1-3-5-12/h12,16H,1-11H2
InChIKeyMDXMTKMLQWYBPD-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.20
Rot. Bonds3

About 6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine

6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine (PubChem CID 122590128) has the molecular formula C13H24ClN5O and a molecular weight of 301.82 g/mol. Its IUPAC name is 6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine.

Molecular Properties

Compound Name6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine
PubChem CID122590128
Molecular FormulaC13H24ClN5O
Molecular Weight301.82 g/mol
Exact Mass301.17
IUPAC Name6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine
SMILESClC1=NCN(N2CCOCC2)CN1NC1CCCCC1
InChIInChI=1S/C13H24ClN5O/c14-13-15-10-18(17-6-8-20-9-7-17)11-19(13)16-12-4-2-1-3-5-12/h12,16H,1-11H2
InChIKeyMDXMTKMLQWYBPD-UHFFFAOYSA-N
XLogP1.20
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine?
The IUPAC name of 6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine (CID 122590128) is 6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine.
What is the SMILES notation for 6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine?
The canonical SMILES for 6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine is ClC1=NCN(N2CCOCC2)CN1NC1CCCCC1.
What is the InChIKey of 6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine?
The InChIKey is MDXMTKMLQWYBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5O/c14-13-15-10-18(17-6-8-20-9-7-17)11-19(13)16-12-4-2-1-3-5-12/h12,16H,1-11H2.
What are the key properties of 6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine?
6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine has a molecular weight of 301.82 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclohexyl-3-morpholin-4-yl-2,4-dihydro-1,3,5-triazin-1-amine is sourced from PubChem (CID 122590128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).