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

C13H14N4O2 — CID 57381422

IUPACN-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide
SMILESC[C@@H](Nc1ncc(C(=O)NO)cn1)c1ccccc1
InChIInChI=1S/C13H14N4O2/c1-9(10-5-3-2-4-6-10)16-13-14-7-11(8-15-13)12(18)17-19/h2-9,19H,1H3,(H,17,18)(H,14,15,16)/t9-/m1/s1
InChIKeyGISXYSUVYKFPRD-SECBINFHSA-N
MW258.28 g/mol
LogP1.77
Rot. Bonds4

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

N-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide (PubChem CID 57381422) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide
PubChem CID57381422
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide
SMILESC[C@@H](Nc1ncc(C(=O)NO)cn1)c1ccccc1
InChIInChI=1S/C13H14N4O2/c1-9(10-5-3-2-4-6-10)16-13-14-7-11(8-15-13)12(18)17-19/h2-9,19H,1H3,(H,17,18)(H,14,15,16)/t9-/m1/s1
InChIKeyGISXYSUVYKFPRD-SECBINFHSA-N
XLogP1.77
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.77
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-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide (CID 57381422) is N-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide is C[C@@H](Nc1ncc(C(=O)NO)cn1)c1ccccc1.
What is the InChIKey of N-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide?
The InChIKey is GISXYSUVYKFPRD-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(10-5-3-2-4-6-10)16-13-14-7-11(8-15-13)12(18)17-19/h2-9,19H,1H3,(H,17,18)(H,14,15,16)/t9-/m1/s1.
What are the key properties of N-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[(1R)-1-phenylethyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 57381422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).