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

C16H13N5OS — CID 54315974

IUPACN-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine
SMILESCN(c1ccco1)c1nc(-n2ccnc2)ncc1-c1cccs1
InChIInChI=1S/C16H13N5OS/c1-20(14-5-2-8-22-14)15-12(13-4-3-9-23-13)10-18-16(19-15)21-7-6-17-11-21/h2-11H,1H3
InChIKeySOEUERZAICUSRA-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.75
Rot. Bonds4

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

N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine (PubChem CID 54315974) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine
PubChem CID54315974
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC NameN-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine
SMILESCN(c1ccco1)c1nc(-n2ccnc2)ncc1-c1cccs1
InChIInChI=1S/C16H13N5OS/c1-20(14-5-2-8-22-14)15-12(13-4-3-9-23-13)10-18-16(19-15)21-7-6-17-11-21/h2-11H,1H3
InChIKeySOEUERZAICUSRA-UHFFFAOYSA-N
XLogP3.75
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine (CID 54315974) is N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine is CN(c1ccco1)c1nc(-n2ccnc2)ncc1-c1cccs1.
What is the InChIKey of N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is SOEUERZAICUSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-20(14-5-2-8-22-14)15-12(13-4-3-9-23-13)10-18-16(19-15)21-7-6-17-11-21/h2-11H,1H3.
What are the key properties of N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine?
N-(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 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 54315974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).