4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine

C9H18N6S — CID 12650183

IUPAC4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCC(C)Nc1nc(SC)nc(N(C)N)n1
InChIInChI=1S/C9H18N6S/c1-5-6(2)11-7-12-8(15(3)10)14-9(13-7)16-4/h6H,5,10H2,1-4H3,(H,11,12,13,14)
InChIKeyPEAHIPVCWQOBBP-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.11
Rot. Bonds5

About 4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine

4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 12650183) has the molecular formula C9H18N6S and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID12650183
Molecular FormulaC9H18N6S
Molecular Weight242.35 g/mol
Exact Mass242.13
IUPAC Name4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCC(C)Nc1nc(SC)nc(N(C)N)n1
InChIInChI=1S/C9H18N6S/c1-5-6(2)11-7-12-8(15(3)10)14-9(13-7)16-4/h6H,5,10H2,1-4H3,(H,11,12,13,14)
InChIKeyPEAHIPVCWQOBBP-UHFFFAOYSA-N
XLogP1.11
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,4-N-bis(1-methoxypropyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 70412444
methyl (2S)-2-[cyano-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 912172
2-N-[(2S)-butan-2-yl]-6-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 39841738
4-N-[(2R)-butan-2-yl]-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 1115548
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
(2S)-2-[cyano-[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide
CID 27195368
(2R)-2-[cyano-[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide
CID 27195365
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 62865255
4-N-butan-2-yl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80776688
S-[2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethyl] N,N-dimethylcarbamothioate
CID 88825899
2-N-butan-2-yl-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112909105
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780226

Frequently Asked Questions

What is the IUPAC name of 4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 12650183) is 4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine is CCC(C)Nc1nc(SC)nc(N(C)N)n1.
What is the InChIKey of 4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is PEAHIPVCWQOBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6S/c1-5-6(2)11-7-12-8(15(3)10)14-9(13-7)16-4/h6H,5,10H2,1-4H3,(H,11,12,13,14).
What are the key properties of 4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 242.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(methyl)amino]-N-butan-2-yl-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 12650183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).