2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine

C15H19N3OS — CID 80858727

IUPAC2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCc2ccccc2)nc(SC)n1
InChIInChI=1S/C15H19N3OS/c1-3-9-16-13-10-14(18-15(17-13)20-2)19-11-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3,(H,16,17,18)
InChIKeyZIYSUPREIKSTRJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.60
Rot. Bonds7

About 2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine

2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine (PubChem CID 80858727) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine
PubChem CID80858727
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCc2ccccc2)nc(SC)n1
InChIInChI=1S/C15H19N3OS/c1-3-9-16-13-10-14(18-15(17-13)20-2)19-11-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3,(H,16,17,18)
InChIKeyZIYSUPREIKSTRJ-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 80846370
4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine
CID 19690807
6-phenylmethoxy-N-propylpyrazin-2-amine
CID 80858905
2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879362
4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 80767422
[4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80879432
2-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80864961
N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
CID 80865847
N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide
CID 24768444
2-methylsulfanyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778062
6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107171734
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine (CID 80858727) is 2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine is CCCNc1cc(OCc2ccccc2)nc(SC)n1.
What is the InChIKey of 2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine?
The InChIKey is ZIYSUPREIKSTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-9-16-13-10-14(18-15(17-13)20-2)19-11-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine?
2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine has a molecular weight of 289.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80858727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).