N-(3-aminophenyl)pyrimidine-5-carboxamide

C11H10N4O — CID 102921225

IUPACN-(3-aminophenyl)pyrimidine-5-carboxamide
SMILESNc1cccc(NC(=O)c2cncnc2)c1
InChIInChI=1S/C11H10N4O/c12-9-2-1-3-10(4-9)15-11(16)8-5-13-7-14-6-8/h1-7H,12H2,(H,15,16)
InChIKeyRNSRSMPNHBBGLG-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.31
Rot. Bonds2

About N-(3-aminophenyl)pyrimidine-5-carboxamide

N-(3-aminophenyl)pyrimidine-5-carboxamide (PubChem CID 102921225) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is N-(3-aminophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)pyrimidine-5-carboxamide
PubChem CID102921225
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC NameN-(3-aminophenyl)pyrimidine-5-carboxamide
SMILESNc1cccc(NC(=O)c2cncnc2)c1
InChIInChI=1S/C11H10N4O/c12-9-2-1-3-10(4-9)15-11(16)8-5-13-7-14-6-8/h1-7H,12H2,(H,15,16)
InChIKeyRNSRSMPNHBBGLG-UHFFFAOYSA-N
XLogP1.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.31
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

N-(4-aminophenyl)pyrimidine-5-carboxamide
CID 102921228
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
N-(3-aminophenyl)-4-formylbenzamide
CID 57292924
N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 83408824
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide
CID 102922040
1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide
CID 71483953
methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753
N-(3-amino-2-methylphenyl)pyrimidine-5-carboxamide
CID 102921234
3-carbamothioyl-N-pyrimidin-5-ylbenzamide
CID 107588773
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-aminophenyl)pyrimidine-5-carboxamide (CID 102921225) is N-(3-aminophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-aminophenyl)pyrimidine-5-carboxamide is Nc1cccc(NC(=O)c2cncnc2)c1.
What is the InChIKey of N-(3-aminophenyl)pyrimidine-5-carboxamide?
The InChIKey is RNSRSMPNHBBGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-9-2-1-3-10(4-9)15-11(16)8-5-13-7-14-6-8/h1-7H,12H2,(H,15,16).
What are the key properties of N-(3-aminophenyl)pyrimidine-5-carboxamide?
N-(3-aminophenyl)pyrimidine-5-carboxamide has a molecular weight of 214.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102921225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).