4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine

C9H13ClN4OS — CID 106430118

IUPAC4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine
SMILESC=CCSCCNc1nc(Cl)nc(OC)n1
InChIInChI=1S/C9H13ClN4OS/c1-3-5-16-6-4-11-8-12-7(10)13-9(14-8)15-2/h3H,1,4-6H2,2H3,(H,11,12,13,14)
InChIKeyRKPRBPXODXOSFE-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.86
Rot. Bonds7

About 4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine (PubChem CID 106430118) has the molecular formula C9H13ClN4OS and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine
PubChem CID106430118
Molecular FormulaC9H13ClN4OS
Molecular Weight260.75 g/mol
Exact Mass260.05
IUPAC Name4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine
SMILESC=CCSCCNc1nc(Cl)nc(OC)n1
InChIInChI=1S/C9H13ClN4OS/c1-3-5-16-6-4-11-8-12-7(10)13-9(14-8)15-2/h3H,1,4-6H2,2H3,(H,11,12,13,14)
InChIKeyRKPRBPXODXOSFE-UHFFFAOYSA-N
XLogP1.86
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine
CID 106430202
4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80867945
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323
5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine
CID 104924082
6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine
CID 104924087
1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol
CID 113430529
3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83113419
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutanoic acid
CID 80539533
4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114137248
4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878028
4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 62858640

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine (CID 106430118) is 4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine is C=CCSCCNc1nc(Cl)nc(OC)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine?
The InChIKey is RKPRBPXODXOSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4OS/c1-3-5-16-6-4-11-8-12-7(10)13-9(14-8)15-2/h3H,1,4-6H2,2H3,(H,11,12,13,14).
What are the key properties of 4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine has a molecular weight of 260.75 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106430118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).