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

C17H16N4O2S — CID 59849648

IUPAC5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)N[C@@H](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)/t13-/m0/s1
InChIKeyPYYUPKMXPCFNBT-ZDUSSCGKSA-N
MW340.41 g/mol
LogP2.25
Rot. Bonds5

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

5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 59849648) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide
PubChem CID59849648
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)N[C@@H](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)/t13-/m0/s1
InChIKeyPYYUPKMXPCFNBT-ZDUSSCGKSA-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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Related Compounds

[3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid
CID 69244644
5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 11660359
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
N-(2-hydroxy-1-phenylethyl)-5-nitrothiophene-2-carboxamide
CID 63182470
N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
CID 143117498
N-[(2S)-2-amino-2-phenylethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 11501248
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
[4-[(1S)-1-[(5-benzhydrylthiophene-2-carbonyl)amino]-2-hydroxyethyl]phenyl]carbamic acid
CID 69269566
2-(aminomethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 104860738
5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 59857142
2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
CID 103945105

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide (CID 59849648) is 5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide is Nc1nccc(-c2ccc(C(=O)N[C@@H](CO)c3ccccc3)s2)n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is PYYUPKMXPCFNBT-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of 5-(2-aminopyrimidin-4-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide?
5-(2-aminopyrimidin-4-yl)-N-[(1R)-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-[(1R)-2-hydroxy-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 59849648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).