N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide

C14H14N4O2 — CID 57381425

IUPACN-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1
InChIInChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)
InChIKeyLIIWIMDSZVNYHY-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.70
Rot. Bonds4

About N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide

N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide (PubChem CID 57381425) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide
PubChem CID57381425
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1
InChIInChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17)
InChIKeyLIIWIMDSZVNYHY-UHFFFAOYSA-N
XLogP1.70
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide (CID 57381425) is N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide?
The InChIKey is LIIWIMDSZVNYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-12(18-20)10-8-15-13(16-9-10)17-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9,20H,6-7H2,(H,18,19)(H,15,16,17).
What are the key properties of N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 57381425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).