4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine

C12H16N4O2S — CID 107785128

IUPAC4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Sc2ccoc2C)n1
InChIInChI=1S/C12H16N4O2S/c1-4-6-13-10-14-11(17-3)16-12(15-10)19-9-5-7-18-8(9)2/h5,7H,4,6H2,1-3H3,(H,13,14,15,16)
InChIKeyPYSWYBKJNMYUFZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.75
Rot. Bonds6

About 4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine

4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 107785128) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
PubChem CID107785128
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Sc2ccoc2C)n1
InChIInChI=1S/C12H16N4O2S/c1-4-6-13-10-14-11(17-3)16-12(15-10)19-9-5-7-18-8(9)2/h5,7H,4,6H2,1-3H3,(H,13,14,15,16)
InChIKeyPYSWYBKJNMYUFZ-UHFFFAOYSA-N
XLogP2.75
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785153
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 102927014
4-(3-chlorophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80892069
5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 114001357
4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80889128
4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889440
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80872051
6-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773776
2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80808988
6-methoxy-2-N-methyl-2-N-(2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80795943

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine (CID 107785128) is 4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(Sc2ccoc2C)n1.
What is the InChIKey of 4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is PYSWYBKJNMYUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-4-6-13-10-14-11(17-3)16-12(15-10)19-9-5-7-18-8(9)2/h5,7H,4,6H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107785128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).