4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine

C17H27ClN4O — CID 831338

IUPAC4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(N(C2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C17H27ClN4O/c1-2-23-17-20-15(18)19-16(21-17)22(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3
InChIKeyRBSQTQSVVPTLFX-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.40
Rot. Bonds5

About 4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine

4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 831338) has the molecular formula C17H27ClN4O and a molecular weight of 338.88 g/mol. Its IUPAC name is 4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID831338
Molecular FormulaC17H27ClN4O
Molecular Weight338.88 g/mol
Exact Mass338.19
IUPAC Name4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(N(C2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C17H27ClN4O/c1-2-23-17-20-15(18)19-16(21-17)22(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3
InChIKeyRBSQTQSVVPTLFX-UHFFFAOYSA-N
XLogP4.40
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine (CID 831338) is 4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(N(C2CCCCC2)C2CCCCC2)n1.
What is the InChIKey of 4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is RBSQTQSVVPTLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O/c1-2-23-17-20-15(18)19-16(21-17)22(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3.
What are the key properties of 4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine?
4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 338.88 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 831338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).