2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide

C17H19N7O — CID 141251091

IUPAC2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2C=CN(c3ccc(N)cc3)C2)nc1NC1CC1
InChIInChI=1S/C17H19N7O/c18-11-1-5-13(6-2-11)23-7-8-24(10-23)17-20-9-14(15(19)25)16(22-17)21-12-3-4-12/h1-2,5-9,12H,3-4,10,18H2,(H2,19,25)(H,20,21,22)
InChIKeyXDLUZYDUMDKNCH-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.49
Rot. Bonds5

About 2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide

2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide (PubChem CID 141251091) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide
PubChem CID141251091
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2C=CN(c3ccc(N)cc3)C2)nc1NC1CC1
InChIInChI=1S/C17H19N7O/c18-11-1-5-13(6-2-11)23-7-8-24(10-23)17-20-9-14(15(19)25)16(22-17)21-12-3-4-12/h1-2,5-9,12H,3-4,10,18H2,(H2,19,25)(H,20,21,22)
InChIKeyXDLUZYDUMDKNCH-UHFFFAOYSA-N
XLogP1.49
TPSA113.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide (CID 141251091) is 2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(N2C=CN(c3ccc(N)cc3)C2)nc1NC1CC1.
What is the InChIKey of 2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide?
The InChIKey is XDLUZYDUMDKNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c18-11-1-5-13(6-2-11)23-7-8-24(10-23)17-20-9-14(15(19)25)16(22-17)21-12-3-4-12/h1-2,5-9,12H,3-4,10,18H2,(H2,19,25)(H,20,21,22).
What are the key properties of 2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide?
2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminophenyl)-2H-imidazol-1-yl]-4-(cyclopropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 141251091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).