5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide

C17H16N4O2S — CID 11522954

IUPAC5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)NC(CO)c3ccccc3)s2)n1
InChIInChI=1S/C17H16N4O2S/c18-17-19-9-8-12(21-17)14-6-7-15(24-14)16(23)20-13(10-22)11-4-2-1-3-5-11/h1-9,13,22H,10H2,(H,20,23)(H2,18,19,21)
InChIKeyPYYUPKMXPCFNBT-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.25
Rot. Bonds5

About 5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide

5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide (PubChem CID 11522954) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
PubChem CID11522954
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)NC(CO)c3ccccc3)s2)n1
InChIInChI=1S/C17H16N4O2S/c18-17-19-9-8-12(21-17)14-6-7-15(24-14)16(23)20-13(10-22)11-4-2-1-3-5-11/h1-9,13,22H,10H2,(H,20,23)(H2,18,19,21)
InChIKeyPYYUPKMXPCFNBT-UHFFFAOYSA-N
XLogP2.25
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide (CID 11522954) is 5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide is Nc1nccc(-c2ccc(C(=O)NC(CO)c3ccccc3)s2)n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide?
The InChIKey is PYYUPKMXPCFNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c18-17-19-9-8-12(21-17)14-6-7-15(24-14)16(23)20-13(10-22)11-4-2-1-3-5-11/h1-9,13,22H,10H2,(H,20,23)(H2,18,19,21).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide?
5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 11522954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).