6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine

C13H22ClN5O — CID 11970865

IUPAC6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
SMILESCOCCCNc1nc(Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-20-9-5-8-15-12-17-11(14)18-13(19-12)16-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,15,16,17,18,19)
InChIKeyRHRPNOHMMGIBHD-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.72
Rot. Bonds7

About 6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 11970865) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
PubChem CID11970865
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
SMILESCOCCCNc1nc(Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-20-9-5-8-15-12-17-11(14)18-13(19-12)16-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,15,16,17,18,19)
InChIKeyRHRPNOHMMGIBHD-UHFFFAOYSA-N
XLogP2.72
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine (CID 11970865) is 6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine is COCCCNc1nc(Cl)nc(NC2CCCCC2)n1.
What is the InChIKey of 6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RHRPNOHMMGIBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-20-9-5-8-15-12-17-11(14)18-13(19-12)16-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 299.81 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclohexyl-4-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11970865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).