(2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

C5H11N5 — CID 136590856

IUPAC(2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(N)=N[C@@H](C)N1
InChIInChI=1S/C5H11N5/c1-3-8-4(6)10-5(7-2)9-3/h3H,1-2H3,(H4,6,7,8,9,10)/t3-/m1/s1
InChIKeyXPSOXJSYPIABTG-GSVOUGTGSA-N
MW141.18 g/mol
LogP-1.17
Rot. Bonds

About (2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine

(2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 136590856) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is (2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name(2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID136590856
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name(2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESC/N=C1/NC(N)=N[C@@H](C)N1
InChIInChI=1S/C5H11N5/c1-3-8-4(6)10-5(7-2)9-3/h3H,1-2H3,(H4,6,7,8,9,10)/t3-/m1/s1
InChIKeyXPSOXJSYPIABTG-GSVOUGTGSA-N
XLogP-1.17
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of (2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 136590856) is (2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for (2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for (2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is C/N=C1/NC(N)=N[C@@H](C)N1.
What is the InChIKey of (2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is XPSOXJSYPIABTG-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H11N5/c1-3-8-4(6)10-5(7-2)9-3/h3H,1-2H3,(H4,6,7,8,9,10)/t3-/m1/s1.
What are the key properties of (2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine?
(2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 141.18 g/mol, XLogP of -1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 136590856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).