5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine

C16H21N3OS — CID 80879508

IUPAC5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2ccc(SC)cc2)c1CC
InChIInChI=1S/C16H21N3OS/c1-4-10-17-15-14(5-2)16(19-11-18-15)20-12-6-8-13(21-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyPDPAXHLLTWPNDV-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.38
Rot. Bonds7

About 5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine

5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine (PubChem CID 80879508) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
PubChem CID80879508
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2ccc(SC)cc2)c1CC
InChIInChI=1S/C16H21N3OS/c1-4-10-17-15-14(5-2)16(19-11-18-15)20-12-6-8-13(21-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyPDPAXHLLTWPNDV-UHFFFAOYSA-N
XLogP4.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.38
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
6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80875220
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80865732
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80874885
5-methyl-6-(4-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80879024

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine (CID 80879508) is 5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine is CCCNc1ncnc(Oc2ccc(SC)cc2)c1CC.
What is the InChIKey of 5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine?
The InChIKey is PDPAXHLLTWPNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-10-17-15-14(5-2)16(19-11-18-15)20-12-6-8-13(21-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19).
What are the key properties of 5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine?
5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine has a molecular weight of 303.43 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80879508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).