N-methoxy-3-(pyrimidin-2-ylamino)benzamide

C12H12N4O2 — CID 38013437

IUPACN-methoxy-3-(pyrimidin-2-ylamino)benzamide
SMILESCONC(=O)c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C12H12N4O2/c1-18-16-11(17)9-4-2-5-10(8-9)15-12-13-6-3-7-14-12/h2-8H,1H3,(H,16,17)(H,13,14,15)
InChIKeyBCNGSXMIFYPMMP-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.51
Rot. Bonds4

About N-methoxy-3-(pyrimidin-2-ylamino)benzamide

N-methoxy-3-(pyrimidin-2-ylamino)benzamide (PubChem CID 38013437) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-methoxy-3-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-methoxy-3-(pyrimidin-2-ylamino)benzamide
PubChem CID38013437
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-methoxy-3-(pyrimidin-2-ylamino)benzamide
SMILESCONC(=O)c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C12H12N4O2/c1-18-16-11(17)9-4-2-5-10(8-9)15-12-13-6-3-7-14-12/h2-8H,1H3,(H,16,17)(H,13,14,15)
InChIKeyBCNGSXMIFYPMMP-UHFFFAOYSA-N
XLogP1.51
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
3,4-dimethoxy-N'-[3-(pyrimidin-2-ylamino)benzoyl]benzohydrazide
CID 31890706
N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
CID 39954034
N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
CID 35374224
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-3-(pyrimidin-2-ylamino)benzamide
CID 124841800
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide
CID 31861938
N-methyl-3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]benzamide
CID 32919336
N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
CID 39575052
3-[2-[2-(4-fluoroanilino)pyrimidin-5-yl]ethyl]-N-methoxybenzamide
CID 90435317
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
ethyl (E)-3-[3-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]methyl]phenyl]prop-2-enoate
CID 70111029

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-methoxy-3-(pyrimidin-2-ylamino)benzamide (CID 38013437) is N-methoxy-3-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-methoxy-3-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-methoxy-3-(pyrimidin-2-ylamino)benzamide is CONC(=O)c1cccc(Nc2ncccn2)c1.
What is the InChIKey of N-methoxy-3-(pyrimidin-2-ylamino)benzamide?
The InChIKey is BCNGSXMIFYPMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-16-11(17)9-4-2-5-10(8-9)15-12-13-6-3-7-14-12/h2-8H,1H3,(H,16,17)(H,13,14,15).
What are the key properties of N-methoxy-3-(pyrimidin-2-ylamino)benzamide?
N-methoxy-3-(pyrimidin-2-ylamino)benzamide has a molecular weight of 244.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 38013437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).