4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine

C10H16N4O2S — CID 113249980

IUPAC4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCCSC2)nc(OC)n1
InChIInChI=1S/C10H16N4O2S/c1-15-9-12-8(13-10(14-9)16-2)11-7-4-3-5-17-6-7/h7H,3-6H2,1-2H3,(H,11,12,13,14)
InChIKeyYCMJFNQEJRDYMV-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.20
Rot. Bonds4

About 4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine

4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine (PubChem CID 113249980) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine
PubChem CID113249980
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCCSC2)nc(OC)n1
InChIInChI=1S/C10H16N4O2S/c1-15-9-12-8(13-10(14-9)16-2)11-7-4-3-5-17-6-7/h7H,3-6H2,1-2H3,(H,11,12,13,14)
InChIKeyYCMJFNQEJRDYMV-UHFFFAOYSA-N
XLogP1.20
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclooctyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859800
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090
5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine
CID 115733683
(3S)-N-(4-methoxyphenyl)thian-3-amine
CID 94885728
4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62861073
6-methoxy-N-(thian-3-yl)pyridin-3-amine
CID 62873047
2-N-[(3S)-thian-3-yl]quinazoline-2,4-diamine
CID 97250083
N-(thian-3-yl)quinazolin-2-amine
CID 114789314
4-hydrazinyl-6-methoxy-N-(3-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 80895205
4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine
CID 103064279
2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)cyclohexane-1,2-diamine
CID 62861608
2-N-tert-butyl-4-N-cyclopropyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 163594071

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine (CID 113249980) is 4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine is COc1nc(NC2CCCSC2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is YCMJFNQEJRDYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-15-9-12-8(13-10(14-9)16-2)11-7-4-3-5-17-6-7/h7H,3-6H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 256.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(thian-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 113249980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).