2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C7H11N5S — CID 22929223

IUPAC2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(N)nc(NC2CC2)n1
InChIInChI=1S/C7H11N5S/c1-13-7-11-5(8)10-6(12-7)9-4-2-3-4/h4H,2-3H2,1H3,(H3,8,9,10,11,12)
InChIKeyLJXALPNVSCEUFE-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.75
Rot. Bonds3

About 2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 22929223) has the molecular formula C7H11N5S and a molecular weight of 197.27 g/mol. Its IUPAC name is 2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID22929223
Molecular FormulaC7H11N5S
Molecular Weight197.27 g/mol
Exact Mass197.07
IUPAC Name2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(N)nc(NC2CC2)n1
InChIInChI=1S/C7H11N5S/c1-13-7-11-5(8)10-6(12-7)9-4-2-3-4/h4H,2-3H2,1H3,(H3,8,9,10,11,12)
InChIKeyLJXALPNVSCEUFE-UHFFFAOYSA-N
XLogP0.75
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 101029019
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
CID 23338975
4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 139963048
2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 12979265
3-[[4-amino-6-(cyclopropylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid
CID 169494452
4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 13241553
2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine
CID 134257615
6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80773525
2-N-cyclopropyl-6-(3-methylsulfanyl-1,2,4-triazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 110190364
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 175422800
2-N-cyclopropyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80765120
4-N-heptyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 140514462

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 22929223) is 2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CSc1nc(N)nc(NC2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LJXALPNVSCEUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5S/c1-13-7-11-5(8)10-6(12-7)9-4-2-3-4/h4H,2-3H2,1H3,(H3,8,9,10,11,12).
What are the key properties of 2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 197.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22929223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).