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

C12H20N4O2S — CID 107765081

IUPAC4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(SC2CCOC2C)n1
InChIInChI=1S/C12H20N4O2S/c1-4-6-13-10-14-11(17-3)16-12(15-10)19-9-5-7-18-8(9)2/h8-9H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyMFMYUNHKGARANA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.97
Rot. Bonds6

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

4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 107765081) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
PubChem CID107765081
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(SC2CCOC2C)n1
InChIInChI=1S/C12H20N4O2S/c1-4-6-13-10-14-11(17-3)16-12(15-10)19-9-5-7-18-8(9)2/h8-9H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyMFMYUNHKGARANA-UHFFFAOYSA-N
XLogP1.97
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-methyl-4-(2-methyloxolan-3-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 107765156
4-N-ethyl-6-methoxy-2-N-(2-methyloxolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 82737154
4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80889258
2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782877
4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80887761
4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80888903
2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80839849
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527
6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80813901
2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 102875727
4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785128

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine (CID 107765081) is 4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(2-methyloxolan-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-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is MFMYUNHKGARANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-4-6-13-10-14-11(17-3)16-12(15-10)19-9-5-7-18-8(9)2/h8-9H,4-7H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine?
4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 284.38 g/mol, XLogP of 1.97, 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-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107765081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).