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

C9H15N5S — CID 12979265

IUPAC2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CC2)nc(SC)n1
InChIInChI=1S/C9H15N5S/c1-3-10-7-12-8(11-6-4-5-6)14-9(13-7)15-2/h6H,3-5H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyWWVNJNFITHECHD-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.60
Rot. Bonds5

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

2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 12979265) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID12979265
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CC2)nc(SC)n1
InChIInChI=1S/C9H15N5S/c1-3-10-7-12-8(11-6-4-5-6)14-9(13-7)15-2/h6H,3-5H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyWWVNJNFITHECHD-UHFFFAOYSA-N
XLogP1.60
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-cyclopropyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 101029019
4-tert-butylsulfanyl-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 139963048
2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 22929223
6-N-ethyl-2-N,2-N-dimethyl-4-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 80771442
4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 71752366
4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 13241553
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
2-N-cyclobutyl-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80826015
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80827383
2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80823322
CID 88729028
CID 88729028
2-N-cyclobutyl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80826457

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 12979265) is 2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC2CC2)nc(SC)n1.
What is the InChIKey of 2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WWVNJNFITHECHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-3-10-7-12-8(11-6-4-5-6)14-9(13-7)15-2/h6H,3-5H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-cyclopropyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 225.32 g/mol, XLogP of 1.60, 5 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-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 12979265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).