4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine

C11H14N6OS — CID 80889440

IUPAC4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Sc2cnccn2)n1
InChIInChI=1S/C11H14N6OS/c1-3-4-14-9-15-10(18-2)17-11(16-9)19-8-7-12-5-6-13-8/h5-7H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyMZIOTFKYWGLKGS-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.64
Rot. Bonds6

About 4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine

4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 80889440) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
PubChem CID80889440
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Sc2cnccn2)n1
InChIInChI=1S/C11H14N6OS/c1-3-4-14-9-15-10(18-2)17-11(16-9)19-8-7-12-5-6-13-8/h5-7H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyMZIOTFKYWGLKGS-UHFFFAOYSA-N
XLogP1.64
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889694
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 102927014
5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
CID 80889363
2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887509
6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117092308
4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785128
4-(3-chlorophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80892069
4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80889128
6-methoxy-2-N-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80775435
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
CID 80885688
N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885392
2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80963167

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine (CID 80889440) is 4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(Sc2cnccn2)n1.
What is the InChIKey of 4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is MZIOTFKYWGLKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-3-4-14-9-15-10(18-2)17-11(16-9)19-8-7-12-5-6-13-8/h5-7H,3-4H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine?
4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 278.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).