6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine

C9H14ClN5S — CID 107298829

IUPAC6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCC2CCSC2)n1
InChIInChI=1S/C9H14ClN5S/c1-11-8-13-7(10)14-9(15-8)12-4-6-2-3-16-5-6/h6H,2-5H2,1H3,(H2,11,12,13,14,15)
InChIKeyWNRUKOFODDIJPA-UHFFFAOYSA-N
MW259.77 g/mol
LogP1.73
Rot. Bonds4

About 6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 107298829) has the molecular formula C9H14ClN5S and a molecular weight of 259.77 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID107298829
Molecular FormulaC9H14ClN5S
Molecular Weight259.77 g/mol
Exact Mass259.07
IUPAC Name6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCC2CCSC2)n1
InChIInChI=1S/C9H14ClN5S/c1-11-8-13-7(10)14-9(15-8)12-4-6-2-3-16-5-6/h6H,2-5H2,1H3,(H2,11,12,13,14,15)
InChIKeyWNRUKOFODDIJPA-UHFFFAOYSA-N
XLogP1.73
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.77
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-piperidin-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 107297724
6-chloro-4-N-methyl-2-N-(thian-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80852504
6-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80811735
4-chloro-6-pyrazol-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 107297723
6-chloro-4-N-methyl-2-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816997
6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80847833
5,6-dimethyl-N-(thiolan-3-ylmethyl)-1,2,4-triazin-3-amine
CID 107296743
2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297738
4-N-ethyl-6-pyrrolidin-1-yl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298766
6-chloro-4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 106029018
6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298768
6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 106014974

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 107298829) is 6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NCC2CCSC2)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WNRUKOFODDIJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5S/c1-11-8-13-7(10)14-9(15-8)12-4-6-2-3-16-5-6/h6H,2-5H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 259.77 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107298829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).