6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C12H18ClN5 — CID 2056397

IUPAC6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C12H18ClN5/c1-2-8-14-11-16-10(13)17-12(18-11)15-9-6-4-3-5-7-9/h2,9H,1,3-8H2,(H2,14,15,16,17,18)
InChIKeyUUQJMPPVOGGWIY-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.87
Rot. Bonds5

About 6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 2056397) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID2056397
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C12H18ClN5/c1-2-8-14-11-16-10(13)17-12(18-11)15-9-6-4-3-5-7-9/h2,9H,1,3-8H2,(H2,14,15,16,17,18)
InChIKeyUUQJMPPVOGGWIY-UHFFFAOYSA-N
XLogP2.87
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-N-cyclohexyl-N'-ethyl-1,3,5-triazine-2,4-diamine
CID 158453
N-tert-Butyl-6-chloro-N'-cyclohexyl-[1,3,5]triazine-2,4-diamine
CID 535317
6-chloro-N4-cyclohexyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 779462
6-chloro-2-N-cyclohexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 71727294
6-Chloro-N(2),N(4)-dicyclohexyl-1,3,5-triazine-2,4-diamine
CID 245174
Cyclohexylmelamine
CID 134592
6-Cyclohexylamino-2,4-dichloro-1,3,5-triazine
CID 596853
6-chloro-4-N-octyl-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 189564
6-Chloro-N-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 11970651
N-Allyl-4-chloro-6-(1-piperidinyl)-1,3,5-triazin-2-amine
CID 2837384
6-chloro-4-N-heptyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3107857
6-chloro-4-N-cyclohexyl-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 13701769

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 2056397) is 6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Cl)nc(NC2CCCCC2)n1.
What is the InChIKey of 6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UUQJMPPVOGGWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5/c1-2-8-14-11-16-10(13)17-12(18-11)15-9-6-4-3-5-7-9/h2,9H,1,3-8H2,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.76 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclohexyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2056397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).