N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine

C16H21N3S — CID 64650012

IUPACN-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCCCc1ccc(C(CSc2ncccn2)NC)cc1
InChIInChI=1S/C16H21N3S/c1-3-5-13-6-8-14(9-7-13)15(17-2)12-20-16-18-10-4-11-19-16/h4,6-11,15,17H,3,5,12H2,1-2H3
InChIKeyAZVLHBLGBYWAML-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.48
Rot. Bonds7

About N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine

N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine (PubChem CID 64650012) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
PubChem CID64650012
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
SMILESCCCc1ccc(C(CSc2ncccn2)NC)cc1
InChIInChI=1S/C16H21N3S/c1-3-5-13-6-8-14(9-7-13)15(17-2)12-20-16-18-10-4-11-19-16/h4,6-11,15,17H,3,5,12H2,1-2H3
InChIKeyAZVLHBLGBYWAML-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-2-pyrimidin-2-ylsulfanylethanamine
CID 64649823
3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol
CID 79670946
2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol
CID 113374023
N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64626452
N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649227
N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
N-methyl-1-(4-methylphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 64633477
N-methyl-1-pyrimidin-2-ylsulfanylbutan-2-amine
CID 64648831
N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
CID 116950451
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 106927283
1-(3,4-dimethylphenyl)-N-ethyl-2-pyrimidin-2-ylsulfanylethanamine
CID 64650599

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The IUPAC name of N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine (CID 64650012) is N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine.
What is the SMILES notation for N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The canonical SMILES for N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine is CCCc1ccc(C(CSc2ncccn2)NC)cc1.
What is the InChIKey of N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
The InChIKey is AZVLHBLGBYWAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-5-13-6-8-14(9-7-13)15(17-2)12-20-16-18-10-4-11-19-16/h4,6-11,15,17H,3,5,12H2,1-2H3.
What are the key properties of N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine?
N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine is sourced from PubChem (CID 64650012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).