2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine

C16H21N3OS — CID 80939308

IUPAC2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2cccc(OC)c2)nc(CC)n1
InChIInChI=1S/C16H21N3OS/c1-4-9-17-15-11-16(19-14(5-2)18-15)21-13-8-6-7-12(10-13)20-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18,19)
InChIKeyKBMYUELHEQLKQL-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.02
Rot. Bonds7

About 2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine

2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine (PubChem CID 80939308) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
PubChem CID80939308
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2cccc(OC)c2)nc(CC)n1
InChIInChI=1S/C16H21N3OS/c1-4-9-17-15-11-16(19-14(5-2)18-15)21-13-8-6-7-12(10-13)20-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18,19)
InChIKeyKBMYUELHEQLKQL-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80936844
2-ethyl-6-(4-methoxy-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 80939033
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664
6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80885590
2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
CID 80939312
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
CID 80939919
2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine
CID 80939326
N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 43286252
2-ethyl-4-N-(3-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935369
6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775008
methyl 3-[2-ethyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropanoate
CID 80937339
6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
CID 80884185

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine (CID 80939308) is 2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine is CCCNc1cc(Sc2cccc(OC)c2)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is KBMYUELHEQLKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-9-17-15-11-16(19-14(5-2)18-15)21-13-8-6-7-12(10-13)20-3/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine?
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 303.43 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80939308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).