4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C12H18ClN5O — CID 790425

IUPAC4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H18ClN5O/c13-10-15-11(14-9-3-1-2-4-9)17-12(16-10)18-5-7-19-8-6-18/h9H,1-8H2,(H,14,15,16,17)
InChIKeyYJJLNXMJALYLJJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.72
Rot. Bonds3

About 4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 790425) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID790425
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H18ClN5O/c13-10-15-11(14-9-3-1-2-4-9)17-12(16-10)18-5-7-19-8-6-18/h9H,1-8H2,(H,14,15,16,17)
InChIKeyYJJLNXMJALYLJJ-UHFFFAOYSA-N
XLogP1.72
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 790425) is 4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is Clc1nc(NC2CCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is YJJLNXMJALYLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c13-10-15-11(14-9-3-1-2-4-9)17-12(16-10)18-5-7-19-8-6-18/h9H,1-8H2,(H,14,15,16,17).
What are the key properties of 4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 283.76 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 790425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).