6-(2-methylsulfanylphenoxy)pyrimidin-4-amine

C11H11N3OS — CID 80880691

IUPAC6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
SMILESCSc1ccccc1Oc1cc(N)ncn1
InChIInChI=1S/C11H11N3OS/c1-16-9-5-3-2-4-8(9)15-11-6-10(12)13-7-14-11/h2-7H,1H3,(H2,12,13,14)
InChIKeyAHLSZFRPGJAIAN-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.57
Rot. Bonds3

About 6-(2-methylsulfanylphenoxy)pyrimidin-4-amine

6-(2-methylsulfanylphenoxy)pyrimidin-4-amine (PubChem CID 80880691) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 6-(2-methylsulfanylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
PubChem CID80880691
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
SMILESCSc1ccccc1Oc1cc(N)ncn1
InChIInChI=1S/C11H11N3OS/c1-16-9-5-3-2-4-8(9)15-11-6-10(12)13-7-14-11/h2-7H,1H3,(H2,12,13,14)
InChIKeyAHLSZFRPGJAIAN-UHFFFAOYSA-N
XLogP2.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-bromophenoxy)pyrimidin-4-amine
CID 80860684
6-(2-chlorophenoxy)pyrimidin-4-amine
CID 80863719
6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80860267
2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol
CID 106973405
2-methoxy-6-(2-methylsulfanylphenoxy)pyridin-3-amine
CID 63648815
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 103176295
6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine
CID 80866737
4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine
CID 63734721
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107713792
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid
CID 106973530
6-methoxy-2-(2-methylsulfanylphenoxy)pyridin-3-amine
CID 115321147
2-methyl-N-[[6-(2-methylsulfanylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 63647366

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfanylphenoxy)pyrimidin-4-amine?
The IUPAC name of 6-(2-methylsulfanylphenoxy)pyrimidin-4-amine (CID 80880691) is 6-(2-methylsulfanylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylsulfanylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methylsulfanylphenoxy)pyrimidin-4-amine is CSc1ccccc1Oc1cc(N)ncn1.
What is the InChIKey of 6-(2-methylsulfanylphenoxy)pyrimidin-4-amine?
The InChIKey is AHLSZFRPGJAIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-16-9-5-3-2-4-8(9)15-11-6-10(12)13-7-14-11/h2-7H,1H3,(H2,12,13,14).
What are the key properties of 6-(2-methylsulfanylphenoxy)pyrimidin-4-amine?
6-(2-methylsulfanylphenoxy)pyrimidin-4-amine has a molecular weight of 233.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfanylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80880691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).