N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide

C11H10N4O2 — CID 88791889

IUPACN-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide
SMILESCC(=O)[NH+]([O-])c1ccnc(-c2ccncc2)n1
InChIInChI=1S/C11H10N4O2/c1-8(16)15(17)10-4-7-13-11(14-10)9-2-5-12-6-3-9/h2-7,15H,1H3
InChIKeyFWVXTOUVTUJVPF-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.10
Rot. Bonds2

About N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide

N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide (PubChem CID 88791889) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide.

Molecular Properties

Compound NameN-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide
PubChem CID88791889
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide
SMILESCC(=O)[NH+]([O-])c1ccnc(-c2ccncc2)n1
InChIInChI=1S/C11H10N4O2/c1-8(16)15(17)10-4-7-13-11(14-10)9-2-5-12-6-3-9/h2-7,15H,1H3
InChIKeyFWVXTOUVTUJVPF-UHFFFAOYSA-N
XLogP0.10
TPSA83.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
CID 56861601
1-[4-(4-methylpyrimidin-2-yl)phenyl]ethanone
CID 21025827
4-hydroxy-3-[(2-pyridin-4-ylpyrimidin-4-yl)iminomethyl]pent-3-en-2-one
CID 137108180
ethyl N-oxido-N-(2-pyridin-4-ylpyrimidin-4-yl)carbamate
CID 88791574
(Z)-2-cyano-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]but-2-enoic acid
CID 21315626
1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea
CID 12764749
1-pentan-3-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
CID 12764759
4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 3439528
1-ethyl-3,3-bis(2-hydroxyethyl)-1-(2-pyridin-4-ylpyrimidin-4-yl)urea
CID 21404743
1-ethyl-1-methyl-3-propan-2-yl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
CID 21404726
4-(4-pyridin-4-ylpyrimidin-2-yl)aniline
CID 116899054
1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
CID 21404741

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide?
The IUPAC name of N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide (CID 88791889) is N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide.
What is the SMILES notation for N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide?
The canonical SMILES for N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide is CC(=O)[NH+]([O-])c1ccnc(-c2ccncc2)n1.
What is the InChIKey of N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide?
The InChIKey is FWVXTOUVTUJVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-8(16)15(17)10-4-7-13-11(14-10)9-2-5-12-6-3-9/h2-7,15H,1H3.
What are the key properties of N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide?
N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide has a molecular weight of 230.23 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-pyridin-4-ylpyrimidin-4-amine oxide is sourced from PubChem (CID 88791889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).