2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine

C15H19N3OS2 — CID 80879362

IUPAC2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(SC)cc2)nc(SC)n1
InChIInChI=1S/C15H19N3OS2/c1-4-9-16-13-10-14(18-15(17-13)21-3)19-11-5-7-12(20-2)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyRDIFLTACVIMDDS-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.53
Rot. Bonds7

About 2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine

2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine (PubChem CID 80879362) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
PubChem CID80879362
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(SC)cc2)nc(SC)n1
InChIInChI=1S/C15H19N3OS2/c1-4-9-16-13-10-14(18-15(17-13)21-3)19-11-5-7-12(20-2)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyRDIFLTACVIMDDS-UHFFFAOYSA-N
XLogP4.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80879432
6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107171734
6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80880525
2-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80864961
2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80858727
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877951
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
[4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol
CID 80871561
6-(1,3-benzodioxol-5-yloxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80874544
6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80864389
[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871747

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine (CID 80879362) is 2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccc(SC)cc2)nc(SC)n1.
What is the InChIKey of 2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine?
The InChIKey is RDIFLTACVIMDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-4-9-16-13-10-14(18-15(17-13)21-3)19-11-5-7-12(20-2)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine?
2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine has a molecular weight of 321.47 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80879362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).