N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine

C17H13N5S — CID 14347115

IUPACN-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine
SMILESc1cc(Nc2nccc(-c3cccs3)n2)cc(-n2ccnc2)c1
InChIInChI=1S/C17H13N5S/c1-3-13(11-14(4-1)22-9-8-18-12-22)20-17-19-7-6-15(21-17)16-5-2-10-23-16/h1-12H,(H,19,20,21)
InChIKeyMJDHPEBORMLORK-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.13
Rot. Bonds4

About N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine

N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine (PubChem CID 14347115) has the molecular formula C17H13N5S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine
PubChem CID14347115
Molecular FormulaC17H13N5S
Molecular Weight319.39 g/mol
Exact Mass319.09
IUPAC NameN-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine
SMILESc1cc(Nc2nccc(-c3cccs3)n2)cc(-n2ccnc2)c1
InChIInChI=1S/C17H13N5S/c1-3-13(11-14(4-1)22-9-8-18-12-22)20-17-19-7-6-15(21-17)16-5-2-10-23-16/h1-12H,(H,19,20,21)
InChIKeyMJDHPEBORMLORK-UHFFFAOYSA-N
XLogP4.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine (CID 14347115) is N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine is c1cc(Nc2nccc(-c3cccs3)n2)cc(-n2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is MJDHPEBORMLORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S/c1-3-13(11-14(4-1)22-9-8-18-12-22)20-17-19-7-6-15(21-17)16-5-2-10-23-16/h1-12H,(H,19,20,21).
What are the key properties of N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine?
N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 319.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylphenyl)-4-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 14347115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).