N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine

C12H15N3S — CID 102923988

IUPACN-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1ccsc1C
InChIInChI=1S/C12H15N3S/c1-3-15-12(10-6-13-8-14-7-10)11-4-5-16-9(11)2/h4-8,12,15H,3H2,1-2H3
InChIKeyKIPBNGFRFNQDMZ-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.55
Rot. Bonds4

About N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine

N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 102923988) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID102923988
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1ccsc1C
InChIInChI=1S/C12H15N3S/c1-3-15-12(10-6-13-8-14-7-10)11-4-5-16-9(11)2/h4-8,12,15H,3H2,1-2H3
InChIKeyKIPBNGFRFNQDMZ-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
N-[(2-methyl-4-pyridinyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 106756018
N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102840771
N-[(2-methylthiophen-3-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 102841738
N-[(5-bromo-3-pyridinyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102833386
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 114033835
N-[(4-bromo-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841300
N-[pyrimidin-5-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115827042
N-[(2-methylpyrimidin-4-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833612
N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 102842118
N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine
CID 62715603
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine (CID 102923988) is N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1cncnc1)c1ccsc1C.
What is the InChIKey of N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is KIPBNGFRFNQDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-15-12(10-6-13-8-14-7-10)11-4-5-16-9(11)2/h4-8,12,15H,3H2,1-2H3.
What are the key properties of N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 102923988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).