N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine

C13H17N3S — CID 102833612

IUPACN-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)n1)c1ccsc1C
InChIInChI=1S/C13H17N3S/c1-4-14-13(11-6-8-17-9(11)2)12-5-7-15-10(3)16-12/h5-8,13-14H,4H2,1-3H3
InChIKeyRFBVJVYYGIETHI-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.85
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine

N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 102833612) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
PubChem CID102833612
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1ccnc(C)n1)c1ccsc1C
InChIInChI=1S/C13H17N3S/c1-4-14-13(11-6-8-17-9(11)2)12-5-7-15-10(3)16-12/h5-8,13-14H,4H2,1-3H3
InChIKeyRFBVJVYYGIETHI-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 106756018
N-[(2-methylpyrimidin-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 113329606
N-[(2,5-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 115530861
N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 105395384
N-[isoquinolin-4-yl-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 115530931
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 114033835
N-[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833538
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
N-[(2-methylthiophen-3-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 102841738
N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102840771
N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102831917

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine (CID 102833612) is N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1ccnc(C)n1)c1ccsc1C.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is RFBVJVYYGIETHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-4-14-13(11-6-8-17-9(11)2)12-5-7-15-10(3)16-12/h5-8,13-14H,4H2,1-3H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 102833612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).