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

C16H14ClN5OS — CID 22402376

IUPACN-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
SMILESCl.c1coc(CNc2nc(-n3ccnc3)ncc2-c2cccs2)c1
InChIInChI=1S/C16H13N5OS.ClH/c1-3-12(22-7-1)9-18-15-13(14-4-2-8-23-14)10-19-16(20-15)21-6-5-17-11-21;/h1-8,10-11H,9H2,(H,18,19,20);1H
InChIKeyPGNDNJNXWXSCSZ-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.02
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride (PubChem CID 22402376) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
PubChem CID22402376
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC NameN-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
SMILESCl.c1coc(CNc2nc(-n3ccnc3)ncc2-c2cccs2)c1
InChIInChI=1S/C16H13N5OS.ClH/c1-3-12(22-7-1)9-18-15-13(14-4-2-8-23-14)10-19-16(20-15)21-6-5-17-11-21;/h1-8,10-11H,9H2,(H,18,19,20);1H
InChIKeyPGNDNJNXWXSCSZ-UHFFFAOYSA-N
XLogP4.02
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride (CID 22402376) is N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride is Cl.c1coc(CNc2nc(-n3ccnc3)ncc2-c2cccs2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride?
The InChIKey is PGNDNJNXWXSCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS.ClH/c1-3-12(22-7-1)9-18-15-13(14-4-2-8-23-14)10-19-16(20-15)21-6-5-17-11-21;/h1-8,10-11H,9H2,(H,18,19,20);1H.
What are the key properties of N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride?
N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride has a molecular weight of 359.84 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 22402376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).