N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine

C15H19N3S — CID 66086234

IUPACN-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
SMILESCCNC(CSc1cccc(C)c1)c1cncnc1
InChIInChI=1S/C15H19N3S/c1-3-18-15(13-8-16-11-17-9-13)10-19-14-6-4-5-12(2)7-14/h4-9,11,15,18H,3,10H2,1-2H3
InChIKeyYWVQSYXAJQXAMY-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.23
Rot. Bonds6

About N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine

N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine (PubChem CID 66086234) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
PubChem CID66086234
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine
SMILESCCNC(CSc1cccc(C)c1)c1cncnc1
InChIInChI=1S/C15H19N3S/c1-3-18-15(13-8-16-11-17-9-13)10-19-14-6-4-5-12(2)7-14/h4-9,11,15,18H,3,10H2,1-2H3
InChIKeyYWVQSYXAJQXAMY-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyridin-3-ylethanamine
CID 66086423
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 64626083
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374715
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374735
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine (CID 66086234) is N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine is CCNC(CSc1cccc(C)c1)c1cncnc1.
What is the InChIKey of N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine?
The InChIKey is YWVQSYXAJQXAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-18-15(13-8-16-11-17-9-13)10-19-14-6-4-5-12(2)7-14/h4-9,11,15,18H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine?
N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine has a molecular weight of 273.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylphenyl)sulfanyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 66086234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).