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

C16H14ClN5OS — CID 67769554

IUPACN-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
SMILESCN(c1ccco1)c1nc(-n2ccnc2)ncc1-c1cccs1.Cl
InChIInChI=1S/C16H13N5OS.ClH/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;1H
InChIKeyXHEUWKWDJRLKAO-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.17
Rot. Bonds4

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

N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride (PubChem CID 67769554) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
PubChem CID67769554
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC NameN-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
SMILESCN(c1ccco1)c1nc(-n2ccnc2)ncc1-c1cccs1.Cl
InChIInChI=1S/C16H13N5OS.ClH/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;1H
InChIKeyXHEUWKWDJRLKAO-UHFFFAOYSA-N
XLogP4.17
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.17
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;hydrochloride?
The IUPAC name of N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride (CID 67769554) is N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride is CN(c1ccco1)c1nc(-n2ccnc2)ncc1-c1cccs1.Cl.
What is the InChIKey of N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride?
The InChIKey is XHEUWKWDJRLKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS.ClH/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;1H.
What are the key properties of N-(furan-2-yl)-2-imidazol-1-yl-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride?
N-(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 4.17, 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;hydrochloride is sourced from PubChem (CID 67769554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).