6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine

C15H19N3OS — CID 80864015

IUPAC6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(Oc2cc(C)ccc2C(C)C)n1
InChIInChI=1S/C15H19N3OS/c1-9(2)11-6-5-10(3)7-12(11)19-14-8-13(16)17-15(18-14)20-4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeySRBRLOSFEKTGMR-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.00
Rot. Bonds4

About 6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine

6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80864015) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80864015
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)cc(Oc2cc(C)ccc2C(C)C)n1
InChIInChI=1S/C15H19N3OS/c1-9(2)11-6-5-10(3)7-12(11)19-14-8-13(16)17-15(18-14)20-4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeySRBRLOSFEKTGMR-UHFFFAOYSA-N
XLogP4.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80941059
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80874408
6-(4-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80862473
4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
CID 62481702
6-methyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 79021239
6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966556
4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 80866048
6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine
CID 80877439
2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80869548
2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80864721
6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80875016
[4-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80915964

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine (CID 80864015) is 6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(N)cc(Oc2cc(C)ccc2C(C)C)n1.
What is the InChIKey of 6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is SRBRLOSFEKTGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9(2)11-6-5-10(3)7-12(11)19-14-8-13(16)17-15(18-14)20-4/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine?
6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 289.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80864015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).