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

C9H15N5OS — CID 80852421

IUPAC6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCC2CCCS2)n1
InChIInChI=1S/C9H15N5OS/c1-15-9-13-7(10)12-8(14-9)11-5-6-3-2-4-16-6/h6H,2-5H2,1H3,(H3,10,11,12,13,14)
InChIKeyLOVSPZYEJFLKDT-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.77
Rot. Bonds4

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

6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80852421) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80852421
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCC2CCCS2)n1
InChIInChI=1S/C9H15N5OS/c1-15-9-13-7(10)12-8(14-9)11-5-6-3-2-4-16-6/h6H,2-5H2,1H3,(H3,10,11,12,13,14)
InChIKeyLOVSPZYEJFLKDT-UHFFFAOYSA-N
XLogP0.77
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-(thiolan-2-ylmethyl)pyrimidin-2-amine
CID 112698618
4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80926866
6-bromo-2-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796124
6-chloro-2-N-(thiolan-2-ylmethyl)pyridine-2,4-diamine
CID 104924760
2-N-(thian-2-ylmethyl)pyrimidine-2,5-diamine
CID 80595463
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
4-chloro-6-pyrrolidin-1-yl-N-(thiolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80585655
6-chloro-4-N-methyl-2-N-(thian-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80852504
6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80852734
6-methoxy-2-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772368
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80844381

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80852421) is 6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCC2CCCS2)n1.
What is the InChIKey of 6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LOVSPZYEJFLKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-15-9-13-7(10)12-8(14-9)11-5-6-3-2-4-16-6/h6H,2-5H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 241.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80852421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).