3-amino-4-methyl-N-pyrimidin-5-ylbenzamide

C12H12N4O — CID 107587369

IUPAC3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cncnc2)cc1N
InChIInChI=1S/C12H12N4O/c1-8-2-3-9(4-11(8)13)12(17)16-10-5-14-7-15-6-10/h2-7H,13H2,1H3,(H,16,17)
InChIKeyZPRITMNITXLNAK-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.62
Rot. Bonds2

About 3-amino-4-methyl-N-pyrimidin-5-ylbenzamide

3-amino-4-methyl-N-pyrimidin-5-ylbenzamide (PubChem CID 107587369) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-amino-4-methyl-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
PubChem CID107587369
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cncnc2)cc1N
InChIInChI=1S/C12H12N4O/c1-8-2-3-9(4-11(8)13)12(17)16-10-5-14-7-15-6-10/h2-7H,13H2,1H3,(H,16,17)
InChIKeyZPRITMNITXLNAK-UHFFFAOYSA-N
XLogP1.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107587350
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
3-amino-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62809093
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
4-amino-3-nitro-N-pyrimidin-5-ylbenzamide
CID 104862717
3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide
CID 43543182
3-amino-4-methyl-N-pyrimidin-2-ylbenzamide
CID 24691828
3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
CID 100803507
3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
CID 28723656
3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 28723700
4-tert-butyl-N-pyrimidin-5-ylbenzamide
CID 76848988
4-hydroxy-N-pyrimidin-5-ylbenzamide
CID 104862675

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 3-amino-4-methyl-N-pyrimidin-5-ylbenzamide (CID 107587369) is 3-amino-4-methyl-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 3-amino-4-methyl-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 3-amino-4-methyl-N-pyrimidin-5-ylbenzamide is Cc1ccc(C(=O)Nc2cncnc2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-pyrimidin-5-ylbenzamide?
The InChIKey is ZPRITMNITXLNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-2-3-9(4-11(8)13)12(17)16-10-5-14-7-15-6-10/h2-7H,13H2,1H3,(H,16,17).
What are the key properties of 3-amino-4-methyl-N-pyrimidin-5-ylbenzamide?
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide has a molecular weight of 228.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 107587369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).