6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine

C16H13N5OS — CID 57224175

IUPAC6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine
SMILESCNc1nc(-n2ccnc2)nc(-c2ccco2)c1-c1cccs1
InChIInChI=1S/C16H13N5OS/c1-17-15-13(12-5-3-9-23-12)14(11-4-2-8-22-11)19-16(20-15)21-7-6-18-10-21/h2-10H,1H3,(H,17,19,20)
InChIKeyDWTLTDDXIGGKJD-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.69
Rot. Bonds4

About 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine

6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine (PubChem CID 57224175) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine
PubChem CID57224175
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine
SMILESCNc1nc(-n2ccnc2)nc(-c2ccco2)c1-c1cccs1
InChIInChI=1S/C16H13N5OS/c1-17-15-13(12-5-3-9-23-12)14(11-4-2-8-22-11)19-16(20-15)21-7-6-18-10-21/h2-10H,1H3,(H,17,19,20)
InChIKeyDWTLTDDXIGGKJD-UHFFFAOYSA-N
XLogP3.69
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine (CID 57224175) is 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine is CNc1nc(-n2ccnc2)nc(-c2ccco2)c1-c1cccs1.
What is the InChIKey of 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is DWTLTDDXIGGKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-17-15-13(12-5-3-9-23-12)14(11-4-2-8-22-11)19-16(20-15)21-7-6-18-10-21/h2-10H,1H3,(H,17,19,20).
What are the key properties of 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine?
6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 323.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 57224175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).