N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine

C14H17N3OS — CID 80879241

IUPACN-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(SC)cc2)c1C
InChIInChI=1S/C14H17N3OS/c1-4-15-13-10(2)14(17-9-16-13)18-11-5-7-12(19-3)8-6-11/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyVNJGDCOULGVRDB-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.73
Rot. Bonds5

About N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine

N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine (PubChem CID 80879241) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
PubChem CID80879241
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(SC)cc2)c1C
InChIInChI=1S/C14H17N3OS/c1-4-15-13-10(2)14(17-9-16-13)18-11-5-7-12(19-3)8-6-11/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyVNJGDCOULGVRDB-UHFFFAOYSA-N
XLogP3.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80878962
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351
6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 107669579
5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879508
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879504
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine (CID 80879241) is N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine is CCNc1ncnc(Oc2ccc(SC)cc2)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
The InChIKey is VNJGDCOULGVRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-15-13-10(2)14(17-9-16-13)18-11-5-7-12(19-3)8-6-11/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80879241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).