4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

C14H23ClN6O — CID 118432233

IUPAC4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESC#CCNc1nc(NC2CCCCC2)nc(N(C)OC)n1.Cl
InChIInChI=1S/C14H22N6O.ClH/c1-4-10-15-12-17-13(16-11-8-6-5-7-9-11)19-14(18-12)20(2)21-3;/h1,11H,5-10H2,2-3H3,(H2,15,16,17,18,19);1H
InChIKeyPVYMVHOKQQPNAD-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.08
Rot. Bonds6

About 4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride

4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 118432233) has the molecular formula C14H23ClN6O and a molecular weight of 326.83 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID118432233
Molecular FormulaC14H23ClN6O
Molecular Weight326.83 g/mol
Exact Mass326.16
IUPAC Name4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESC#CCNc1nc(NC2CCCCC2)nc(N(C)OC)n1.Cl
InChIInChI=1S/C14H22N6O.ClH/c1-4-10-15-12-17-13(16-11-8-6-5-7-9-11)19-14(18-12)20(2)21-3;/h1,11H,5-10H2,2-3H3,(H2,15,16,17,18,19);1H
InChIKeyPVYMVHOKQQPNAD-UHFFFAOYSA-N
XLogP2.08
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90175598
4-N-cyclohexyl-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80766155
(E)-but-2-enedioic acid;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 74767750
6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride
CID 159191167
6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 90159113
2-N-cyclohexyl-4-N,6-N-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 59302702
2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90175611
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 10971832
N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of 4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 118432233) is 4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for 4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for 4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is C#CCNc1nc(NC2CCCCC2)nc(N(C)OC)n1.Cl.
What is the InChIKey of 4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is PVYMVHOKQQPNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O.ClH/c1-4-10-15-12-17-13(16-11-8-6-5-7-9-11)19-14(18-12)20(2)21-3;/h1,11H,5-10H2,2-3H3,(H2,15,16,17,18,19);1H.
What are the key properties of 4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 118432233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).