4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H17N5O2S — CID 80872582

IUPAC4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(SCc2ccco2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H17N5O2S/c1-14-11-15-12(18-4-7-19-8-5-18)17-13(16-11)21-9-10-3-2-6-20-10/h2-3,6H,4-5,7-9H2,1H3,(H,14,15,16,17)
InChIKeyHZNJNJRZHPLDHA-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.64
Rot. Bonds5

About 4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80872582) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80872582
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(SCc2ccco2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H17N5O2S/c1-14-11-15-12(18-4-7-19-8-5-18)17-13(16-11)21-9-10-3-2-6-20-10/h2-3,6H,4-5,7-9H2,1H3,(H,14,15,16,17)
InChIKeyHZNJNJRZHPLDHA-UHFFFAOYSA-N
XLogP1.64
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 2989170
4-(furan-2-ylmethylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80893879
N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80881867
N-methyl-4-morpholin-4-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80885654
4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 32802287
4-(furan-2-ylmethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844803
2-[[4-(furan-2-ylmethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 821246
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773229
4-[2-(furan-2-yl)ethylamino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 10063365
N-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80882713
4-[4-[(4-bromophenyl)methylsulfanyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 2982522

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80872582) is 4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is CNc1nc(SCc2ccco2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is HZNJNJRZHPLDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-14-11-15-12(18-4-7-19-8-5-18)17-13(16-11)21-9-10-3-2-6-20-10/h2-3,6H,4-5,7-9H2,1H3,(H,14,15,16,17).
What are the key properties of 4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 307.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanyl)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).