N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine

C15H19N3OS — CID 80878962

IUPACN,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(SC)cc2)c1CC
InChIInChI=1S/C15H19N3OS/c1-4-13-14(16-5-2)17-10-18-15(13)19-11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyYGCCOQFVWWKADB-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.98
Rot. Bonds6

About N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine

N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine (PubChem CID 80878962) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
PubChem CID80878962
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(SC)cc2)c1CC
InChIInChI=1S/C15H19N3OS/c1-4-13-14(16-5-2)17-10-18-15(13)19-11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyYGCCOQFVWWKADB-UHFFFAOYSA-N
XLogP3.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879508
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
N,5-diethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80879453
6-(3,5-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80875890
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
N,5-diethyl-6-(2,4,5-trichlorophenoxy)pyrimidin-4-amine
CID 80865608
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
N,5-diethyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-amine
CID 106598749
6-(3,4-dichlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80875220

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine (CID 80878962) is N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine is CCNc1ncnc(Oc2ccc(SC)cc2)c1CC.
What is the InChIKey of N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
The InChIKey is YGCCOQFVWWKADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-13-14(16-5-2)17-10-18-15(13)19-11-6-8-12(20-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine?
N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine has a molecular weight of 289.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80878962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).