[2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

C10H8F3N3S — CID 114205979

IUPAC[2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(-c2cccs2)nc1C(F)(F)F
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)8-6(4-14)5-15-9(16-8)7-2-1-3-17-7/h1-3,5H,4,14H2
InChIKeySKOZDLRLHYAWKA-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.68
Rot. Bonds2

About [2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

[2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 114205979) has the molecular formula C10H8F3N3S and a molecular weight of 259.26 g/mol. Its IUPAC name is [2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID114205979
Molecular FormulaC10H8F3N3S
Molecular Weight259.26 g/mol
Exact Mass259.04
IUPAC Name[2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(-c2cccs2)nc1C(F)(F)F
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)8-6(4-14)5-15-9(16-8)7-2-1-3-17-7/h1-3,5H,4,14H2
InChIKeySKOZDLRLHYAWKA-UHFFFAOYSA-N
XLogP2.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 82506813
[2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 114205003
6-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929572
2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917262
2-methyl-N-[(2-thiophen-2-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 62747938
2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276873
6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929614
5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 91137849
4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile
CID 83707861
2-[1-methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 98018921
[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 66380521
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334507

Frequently Asked Questions

What is the IUPAC name of [2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 114205979) is [2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is NCc1cnc(-c2cccs2)nc1C(F)(F)F.
What is the InChIKey of [2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is SKOZDLRLHYAWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3S/c11-10(12,13)8-6(4-14)5-15-9(16-8)7-2-1-3-17-7/h1-3,5H,4,14H2.
What are the key properties of [2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
[2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 259.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114205979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).