2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine

C17H23N3S — CID 80939326

IUPAC2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SCc2cccc(C)c2)nc(CC)n1
InChIInChI=1S/C17H23N3S/c1-4-9-18-16-11-17(20-15(5-2)19-16)21-12-14-8-6-7-13(3)10-14/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,18,19,20)
InChIKeyCOVITYMDUVBCRA-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.46
Rot. Bonds7

About 2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine

2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine (PubChem CID 80939326) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine
PubChem CID80939326
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(SCc2cccc(C)c2)nc(CC)n1
InChIInChI=1S/C17H23N3S/c1-4-9-18-16-11-17(20-15(5-2)19-16)21-12-14-8-6-7-13(3)10-14/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,18,19,20)
InChIKeyCOVITYMDUVBCRA-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine
CID 80888395
N-ethyl-N'-[2-ethyl-6-[(3-methylphenyl)methyl]pyrimidin-4-yl]ethane-1,2-diamine
CID 158450885
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
CID 80939308
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
CID 116546086
2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80995752
methyl 3-[2-ethyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropanoate
CID 80937339
6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 80652578
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664
2-(benzylsulfanylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80654078
2-ethyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid
CID 16778338
6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80885590
2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80886667

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine (CID 80939326) is 2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine is CCCNc1cc(SCc2cccc(C)c2)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine?
The InChIKey is COVITYMDUVBCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-4-9-18-16-11-17(20-15(5-2)19-16)21-12-14-8-6-7-13(3)10-14/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,18,19,20).
What are the key properties of 2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine?
2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine has a molecular weight of 301.46 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(3-methylphenyl)methylsulfanyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80939326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).