5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide

C18H18N4OS — CID 11544625

IUPAC5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCCc3ccccc3)s2)n1
InChIInChI=1S/C18H18N4OS/c1-19-18-21-12-10-14(22-18)15-7-8-16(24-15)17(23)20-11-9-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyLIGYTORWTOTIQC-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.22
Rot. Bonds6

About 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide

5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide (PubChem CID 11544625) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide
PubChem CID11544625
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCCc3ccccc3)s2)n1
InChIInChI=1S/C18H18N4OS/c1-19-18-21-12-10-14(22-18)15-7-8-16(24-15)17(23)20-11-9-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyLIGYTORWTOTIQC-UHFFFAOYSA-N
XLogP3.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide (CID 11544625) is 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide is CNc1nccc(-c2ccc(C(=O)NCCc3ccccc3)s2)n1.
What is the InChIKey of 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is LIGYTORWTOTIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-19-18-21-12-10-14(22-18)15-7-8-16(24-15)17(23)20-11-9-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide?
5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)pyrimidin-4-yl]-N-(2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 11544625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).