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

C16H14ClN5OS — CID 67618281

IUPAC6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
SMILESCNc1nc(-n2ccnc2)nc(-c2ccco2)c1-c1cccs1.Cl
InChIInChI=1S/C16H13N5OS.ClH/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);1H
InChIKeyCYSVGMBEOOXIOM-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.11
Rot. Bonds4

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

6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride (PubChem CID 67618281) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
PubChem CID67618281
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC Name6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
SMILESCNc1nc(-n2ccnc2)nc(-c2ccco2)c1-c1cccs1.Cl
InChIInChI=1S/C16H13N5OS.ClH/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);1H
InChIKeyCYSVGMBEOOXIOM-UHFFFAOYSA-N
XLogP4.11
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.11
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;hydrochloride?
The IUPAC name of 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride (CID 67618281) is 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride is CNc1nc(-n2ccnc2)nc(-c2ccco2)c1-c1cccs1.Cl.
What is the InChIKey of 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride?
The InChIKey is CYSVGMBEOOXIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS.ClH/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);1H.
What are the key properties of 6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride?
6-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride has a molecular weight of 359.84 g/mol, XLogP of 4.11, 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;hydrochloride is sourced from PubChem (CID 67618281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).