1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine

C10H11N3S — CID 82542221

IUPAC1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine
SMILESCC(N)c1ccc(-c2cncnc2)s1
InChIInChI=1S/C10H11N3S/c1-7(11)9-2-3-10(14-9)8-4-12-6-13-5-8/h2-7H,11H2,1H3
InChIKeyGVHSHFFOSYUERW-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.22
Rot. Bonds2

About 1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine

1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine (PubChem CID 82542221) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine
PubChem CID82542221
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine
SMILESCC(N)c1ccc(-c2cncnc2)s1
InChIInChI=1S/C10H11N3S/c1-7(11)9-2-3-10(14-9)8-4-12-6-13-5-8/h2-7H,11H2,1H3
InChIKeyGVHSHFFOSYUERW-UHFFFAOYSA-N
XLogP2.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethanamine
CID 107586222
cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methanamine
CID 107589478
3-(5-pyrimidin-5-ylthiophen-2-yl)butanoic acid
CID 82543393
5-pyrimidin-5-ylthiophen-2-amine
CID 82374621
4-[5-(1-aminoethyl)thiophen-2-yl]phenol
CID 82542128
N-[cyclopropyl-(5-pyrimidin-5-ylthiophen-2-yl)methyl]propan-1-amine
CID 107589464
1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154255
1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine
CID 70832725
1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine
CID 43363583
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586221
(1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine
CID 94457197
4,7-bis(5-pyrimidin-5-ylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 170274895

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine?
The IUPAC name of 1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine (CID 82542221) is 1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine?
The canonical SMILES for 1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine is CC(N)c1ccc(-c2cncnc2)s1.
What is the InChIKey of 1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine?
The InChIKey is GVHSHFFOSYUERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7(11)9-2-3-10(14-9)8-4-12-6-13-5-8/h2-7H,11H2,1H3.
What are the key properties of 1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine?
1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine has a molecular weight of 205.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine is sourced from PubChem (CID 82542221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).