N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide

C10H14N4O3 — CID 57382071

IUPACN-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2CCOCC2)nc1
InChIInChI=1S/C10H14N4O3/c15-9(14-16)7-5-11-10(12-6-7)13-8-1-3-17-4-2-8/h5-6,8,16H,1-4H2,(H,14,15)(H,11,12,13)
InChIKeyIKKWMLLFBIQWAF-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.19
Rot. Bonds3

About N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide

N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide (PubChem CID 57382071) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
PubChem CID57382071
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2CCOCC2)nc1
InChIInChI=1S/C10H14N4O3/c15-9(14-16)7-5-11-10(12-6-7)13-8-1-3-17-4-2-8/h5-6,8,16H,1-4H2,(H,14,15)(H,11,12,13)
InChIKeyIKKWMLLFBIQWAF-UHFFFAOYSA-N
XLogP0.19
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.19
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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Related Compounds

2-amino-N-hydroxypyrimidine-5-carboxamide
CID 87814574
2-(cyclohexylamino)-N-hydroxypyrimidine-5-carboxamide
CID 57382287
2-[(1-ethoxy-4-propan-2-ylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide
CID 124201731
2-(ethylamino)-N-(tetrahydro-2H-pyran-4-yl)-5-pyrimidinecarboxamide
CID 72896767
1,5-anhydro-2,3-dideoxy-3-({[2-(methylamino)pyrimidin-5-yl]carbonyl}amino)-D-threo-pentitol
CID 91785024
N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959439
N-cyclopropyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 49879066
2-(5-Methyl-[1,2,4]oxadiazole-3-yl)-pyrimidine-5-carboxylic acid (tetrahydro-pyran-4-yl)-amide
CID 16665859
2-(Propan-2-ylamino)pyrimidine-5-carboxamide
CID 19698814
N-(oxan-2-yloxy)-2-piperazin-1-ylpyrimidine-5-carboxamide
CID 44140177
N-hydroxy-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 57994318
N-hydroxy-2-piperazin-1-ylpyrimidine-5-carboxamide
CID 57994340

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide (CID 57382071) is N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2CCOCC2)nc1.
What is the InChIKey of N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide?
The InChIKey is IKKWMLLFBIQWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-9(14-16)7-5-11-10(12-6-7)13-8-1-3-17-4-2-8/h5-6,8,16H,1-4H2,(H,14,15)(H,11,12,13).
What are the key properties of N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide?
N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(oxan-4-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 57382071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).