[5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine

C15H19N3OS — CID 63648235

IUPAC[5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCSc1ccc(Oc2cnc(C(C)C)nc2CN)cc1
InChIInChI=1S/C15H19N3OS/c1-10(2)15-17-9-14(13(8-16)18-15)19-11-4-6-12(20-3)7-5-11/h4-7,9-10H,8,16H2,1-3H3
InChIKeyZRIQFFFVJWXDDX-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.57
Rot. Bonds5

About [5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 63648235) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is [5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID63648235
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name[5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCSc1ccc(Oc2cnc(C(C)C)nc2CN)cc1
InChIInChI=1S/C15H19N3OS/c1-10(2)15-17-9-14(13(8-16)18-15)19-11-4-6-12(20-3)7-5-11/h4-7,9-10H,8,16H2,1-3H3
InChIKeyZRIQFFFVJWXDDX-UHFFFAOYSA-N
XLogP3.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62297328
[2-propan-2-yl-5-(3-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62296045
[5-[(5-chloro-3-pyridinyl)oxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 64600452
[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62322377
[5-(4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086538
[4-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]oxyphenyl]methanol
CID 62088149
1-[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297314
[5-(2-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62295801
[5-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62089045
[5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62672573
3-[4-(aminomethyl)-2-propan-2-ylpyrimidin-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 62298226
1-[5-(4-chloro-3-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 82718693

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 63648235) is [5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine is CSc1ccc(Oc2cnc(C(C)C)nc2CN)cc1.
What is the InChIKey of [5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is ZRIQFFFVJWXDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)15-17-9-14(13(8-16)18-15)19-11-4-6-12(20-3)7-5-11/h4-7,9-10H,8,16H2,1-3H3.
What are the key properties of [5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 289.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylsulfanylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 63648235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).