5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine

C19H17N5S — CID 50951697

IUPAC5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2c(-c3ccccc3)ncn2CCc2cccs2)cn1
InChIInChI=1S/C19H17N5S/c20-19-21-11-15(12-22-19)18-17(14-5-2-1-3-6-14)23-13-24(18)9-8-16-7-4-10-25-16/h1-7,10-13H,8-9H2,(H2,20,21,22)
InChIKeyPFAKGQRHKWXVFY-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.89
Rot. Bonds5

About 5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine

5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 50951697) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is 5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine
PubChem CID50951697
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC Name5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2c(-c3ccccc3)ncn2CCc2cccs2)cn1
InChIInChI=1S/C19H17N5S/c20-19-21-11-15(12-22-19)18-17(14-5-2-1-3-6-14)23-13-24(18)9-8-16-7-4-10-25-16/h1-7,10-13H,8-9H2,(H2,20,21,22)
InChIKeyPFAKGQRHKWXVFY-UHFFFAOYSA-N
XLogP3.89
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine (CID 50951697) is 5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine is Nc1ncc(-c2c(-c3ccccc3)ncn2CCc2cccs2)cn1.
What is the InChIKey of 5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine?
The InChIKey is PFAKGQRHKWXVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c20-19-21-11-15(12-22-19)18-17(14-5-2-1-3-6-14)23-13-24(18)9-8-16-7-4-10-25-16/h1-7,10-13H,8-9H2,(H2,20,21,22).
What are the key properties of 5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine?
5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 347.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 50951697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).