N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide

C12H12N4O — CID 102921234

IUPACN-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1c(N)cccc1NC(=O)c1cncnc1
InChIInChI=1S/C12H12N4O/c1-8-10(13)3-2-4-11(8)16-12(17)9-5-14-7-15-6-9/h2-7H,13H2,1H3,(H,16,17)
InChIKeyFGWWGSHXHYPIRT-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.62
Rot. Bonds2

About N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide

N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 102921234) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide
PubChem CID102921234
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1c(N)cccc1NC(=O)c1cncnc1
InChIInChI=1S/C12H12N4O/c1-8-10(13)3-2-4-11(8)16-12(17)9-5-14-7-15-6-9/h2-7H,13H2,1H3,(H,16,17)
InChIKeyFGWWGSHXHYPIRT-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

2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921528
N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N-(3-amino-2-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 16788765
N-(3-amino-2-methylphenyl)-4-cyanobenzamide
CID 16781940
(3-amino-2-methylphenyl)urea
CID 16770559
N-(3-amino-2-methylphenyl)-3-(dimethylamino)benzamide
CID 43146782
N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997499
2-(pyrimidine-5-carbonylamino)benzoic acid
CID 110466857
N-(3-amino-2-methylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151872
N-(3-amino-2-methylphenyl)furan-2-carboxamide
CID 16775861
N-(2-amino-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 102921224
N-(3-aminophenyl)pyrimidine-5-carboxamide
CID 102921225

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide (CID 102921234) is N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide is Cc1c(N)cccc1NC(=O)c1cncnc1.
What is the InChIKey of N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is FGWWGSHXHYPIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-10(13)3-2-4-11(8)16-12(17)9-5-14-7-15-6-9/h2-7H,13H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide?
N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide 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 N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102921234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).