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

C8H13N5S — CID 101029019

IUPAC2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CC2)nc(SC)n1
InChIInChI=1S/C8H13N5S/c1-9-6-11-7(10-5-3-4-5)13-8(12-6)14-2/h5H,3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyDDZXBFYWPAQVLB-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.21
Rot. Bonds4

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

2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 101029019) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID101029019
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CC2)nc(SC)n1
InChIInChI=1S/C8H13N5S/c1-9-6-11-7(10-5-3-4-5)13-8(12-6)14-2/h5H,3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyDDZXBFYWPAQVLB-UHFFFAOYSA-N
XLogP1.21
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 101029019) is 2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CNc1nc(NC2CC2)nc(SC)n1.
What is the InChIKey of 2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DDZXBFYWPAQVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c1-9-6-11-7(10-5-3-4-5)13-8(12-6)14-2/h5H,3-4H2,1-2H3,(H2,9,10,11,12,13).
What are the key properties of 2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 211.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 101029019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).