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

C10H16ClN5 — CID 80773525

IUPAC6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Nc2nc(N)nc(Cl)n2)CC1
InChIInChI=1S/C10H16ClN5/c1-6-2-4-7(5-3-6)13-10-15-8(11)14-9(12)16-10/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16)
InChIKeyKYJPAEPLIQQRHK-UHFFFAOYSA-N
MW241.73 g/mol
LogP2.10
Rot. Bonds2

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

6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80773525) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
PubChem CID80773525
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
SMILESCC1CCC(Nc2nc(N)nc(Cl)n2)CC1
InChIInChI=1S/C10H16ClN5/c1-6-2-4-7(5-3-6)13-10-15-8(11)14-9(12)16-10/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16)
InChIKeyKYJPAEPLIQQRHK-UHFFFAOYSA-N
XLogP2.10
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine (CID 80773525) is 6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine is CC1CCC(Nc2nc(N)nc(Cl)n2)CC1.
What is the InChIKey of 6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KYJPAEPLIQQRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-6-2-4-7(5-3-6)13-10-15-8(11)14-9(12)16-10/h6-7H,2-5H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 241.73 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80773525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).