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

C11H18ClN5 — CID 53410711

IUPAC6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(c1nc(N)nc(Cl)n1)C1CCCCC1
InChIInChI=1S/C11H18ClN5/c1-2-17(8-6-4-3-5-7-8)11-15-9(12)14-10(13)16-11/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyMMNDZFUUJHNLBL-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.27
Rot. Bonds3

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

6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 53410711) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID53410711
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(c1nc(N)nc(Cl)n1)C1CCCCC1
InChIInChI=1S/C11H18ClN5/c1-2-17(8-6-4-3-5-7-8)11-15-9(12)14-10(13)16-11/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyMMNDZFUUJHNLBL-UHFFFAOYSA-N
XLogP2.27
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine (CID 53410711) is 6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine is CCN(c1nc(N)nc(Cl)n1)C1CCCCC1.
What is the InChIKey of 6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MMNDZFUUJHNLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-2-17(8-6-4-3-5-7-8)11-15-9(12)14-10(13)16-11/h8H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 255.75 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclohexyl-2-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 53410711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).