[4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol

C8H15N5S — CID 57220320

IUPAC[4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol
SMILESCNc1nc(CS)nc(NC(C)C)n1
InChIInChI=1S/C8H15N5S/c1-5(2)10-8-12-6(4-14)11-7(9-3)13-8/h5,14H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyFEMXNBWSCSYAST-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.16
Rot. Bonds4

About [4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol

[4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol (PubChem CID 57220320) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is [4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol.

Molecular Properties

Compound Name[4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol
PubChem CID57220320
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name[4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol
SMILESCNc1nc(CS)nc(NC(C)C)n1
InChIInChI=1S/C8H15N5S/c1-5(2)10-8-12-6(4-14)11-7(9-3)13-8/h5,14H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyFEMXNBWSCSYAST-UHFFFAOYSA-N
XLogP1.16
TPSA62.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol with MolForge

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Related Compounds

N~2~,N~4~-Diethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 16086
s-Triazine, 4,6-bis(isopropylamino)-2-ethyl-
CID 33405
2-Ethyl-amino-4-isopropylamino-1,3,5-triazine
CID 22027372
2-Ethylamino-4-isopropylamino-6-thiomethyl-1,3,5-triazine
CID 57037219
4,6-Bis-(ethylamino)-2-thiomethyl-1,3,5-triazine
CID 57179626
(2,4-Di(isopropylamino)-6-thiomethyl-1,3,5-triazine)
CID 57213474
2-Thiomethyl-4-ethylamino-6-t-butylamino-s-triazine
CID 129695061
[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methanethiol
CID 389997
[4,6-Bis(tert-butylamino)-1,3,5-triazin-2-yl]methanethiol
CID 90719036
2-Ethylamino-4-tertiarybutyl-6-thiomethyl-1,3,5-triazine
CID 129719694
2-N-(4-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746507
2-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746512

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol?
The IUPAC name of [4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol (CID 57220320) is [4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol.
What is the SMILES notation for [4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol?
The canonical SMILES for [4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol is CNc1nc(CS)nc(NC(C)C)n1.
What is the InChIKey of [4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol?
The InChIKey is FEMXNBWSCSYAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-5(2)10-8-12-6(4-14)11-7(9-3)13-8/h5,14H,4H2,1-3H3,(H2,9,10,11,12,13).
What are the key properties of [4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol?
[4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol has a molecular weight of 213.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methanethiol is sourced from PubChem (CID 57220320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).