4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine

C13H15ClN6S — CID 783137

IUPAC4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCc2cccnc2)nc(N2CCSCC2)n1
InChIInChI=1S/C13H15ClN6S/c14-11-17-12(16-9-10-2-1-3-15-8-10)19-13(18-11)20-4-6-21-7-5-20/h1-3,8H,4-7,9H2,(H,16,17,18,19)
InChIKeyRNWQWCWZMIZRPC-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.09
Rot. Bonds4

About 4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 783137) has the molecular formula C13H15ClN6S and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID783137
Molecular FormulaC13H15ClN6S
Molecular Weight322.82 g/mol
Exact Mass322.08
IUPAC Name4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCc2cccnc2)nc(N2CCSCC2)n1
InChIInChI=1S/C13H15ClN6S/c14-11-17-12(16-9-10-2-1-3-15-8-10)19-13(18-11)20-4-6-21-7-5-20/h1-3,8H,4-7,9H2,(H,16,17,18,19)
InChIKeyRNWQWCWZMIZRPC-UHFFFAOYSA-N
XLogP2.09
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine (CID 783137) is 4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine is Clc1nc(NCc2cccnc2)nc(N2CCSCC2)n1.
What is the InChIKey of 4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is RNWQWCWZMIZRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6S/c14-11-17-12(16-9-10-2-1-3-15-8-10)19-13(18-11)20-4-6-21-7-5-20/h1-3,8H,4-7,9H2,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 322.82 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 783137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).