N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide

C10H10N4O2S — CID 57382291

IUPACN-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCc2cccs2)nc1
InChIInChI=1S/C10H10N4O2S/c15-9(14-16)7-4-11-10(12-5-7)13-6-8-2-1-3-17-8/h1-5,16H,6H2,(H,14,15)(H,11,12,13)
InChIKeyUBISJNAVSWKGMD-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.27
Rot. Bonds4

About N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide

N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 57382291) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID57382291
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC NameN-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCc2cccs2)nc1
InChIInChI=1S/C10H10N4O2S/c15-9(14-16)7-4-11-10(12-5-7)13-6-8-2-1-3-17-8/h1-5,16H,6H2,(H,14,15)(H,11,12,13)
InChIKeyUBISJNAVSWKGMD-UHFFFAOYSA-N
XLogP1.27
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide (CID 57382291) is N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide is O=C(NO)c1cnc(NCc2cccs2)nc1.
What is the InChIKey of N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is UBISJNAVSWKGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c15-9(14-16)7-4-11-10(12-5-7)13-6-8-2-1-3-17-8/h1-5,16H,6H2,(H,14,15)(H,11,12,13).
What are the key properties of N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide?
N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(thiophen-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 57382291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).