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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Related Compounds

N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 22402364
N-(furan-2-ylmethyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-3-amine
CID 95802609
2-imidazol-1-yl-N-methyl-N,5-dithiophen-2-ylpyrimidin-4-amine
CID 54029276
4-N-(furan-2-ylmethyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
CID 19146187
2-imidazol-1-yl-N-(4-methoxyphenyl)-N-methyl-5-thiophen-2-ylpyrimidin-4-amine;hydrochloride
CID 67769093
N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 22402328
N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine
CID 22080698
2-imidazol-1-yl-N-methyl-6-naphthalen-1-yl-5-thiophen-2-ylpyrimidin-4-amine
CID 57152815
N-(furan-2-ylmethyl)-5-(methylamino)-8-thiophen-2-yl-1,6-naphthyridine-2-carboxamide
CID 58979585
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80770959
N-[2-(furan-2-yl)ethyl]-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80900930
N-ethyl-4-(furan-2-ylmethoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80844168

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).