[3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride

C25H24ClN3O2 — CID 44661013

IUPAC[3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride
SMILESCc1nc([NH2+]CCC(Cc2ccccc2)c2ccco2)c2oc3ccccc3c2n1.[Cl-]
InChIInChI=1S/C25H23N3O2.ClH/c1-17-27-23-20-10-5-6-11-22(20)30-24(23)25(28-17)26-14-13-19(21-12-7-15-29-21)16-18-8-3-2-4-9-18;/h2-12,15,19H,13-14,16H2,1H3,(H,26,27,28);1H
InChIKeyGXAQEACQMPKOHZ-UHFFFAOYSA-N
MW433.94 g/mol
LogP1.89
Rot. Bonds7

About [3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride

[3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride (PubChem CID 44661013) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is [3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride.

Molecular Properties

Compound Name[3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride
PubChem CID44661013
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name[3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride
SMILESCc1nc([NH2+]CCC(Cc2ccccc2)c2ccco2)c2oc3ccccc3c2n1.[Cl-]
InChIInChI=1S/C25H23N3O2.ClH/c1-17-27-23-20-10-5-6-11-22(20)30-24(23)25(28-17)26-14-13-19(21-12-7-15-29-21)16-18-8-3-2-4-9-18;/h2-12,15,19H,13-14,16H2,1H3,(H,26,27,28);1H
InChIKeyGXAQEACQMPKOHZ-UHFFFAOYSA-N
XLogP1.89
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride with MolForge

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Related Compounds

(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-phenylethyl)azanium chloride
CID 44663518
(4-hydroxyphenyl)-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride
CID 44664781
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 5177568
1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine
CID 83850107
4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 603361
furan-2-yl-[4-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methanone;hydron;chloride
CID 664121
2-methyl-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 130266426
N-ethyl-3-(furan-2-yl)-4-phenylbutan-1-amine
CID 5149078
4-(4-benzylpiperidin-1-ium-1-yl)-2-methyl-[1]benzofuro[3,2-d]pyrimidine chloride
CID 44662132
N-ethyl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6603427
N-butan-2-yl-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3980878
N-[(2R)-butan-2-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 6546749

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride?
The IUPAC name of [3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride (CID 44661013) is [3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride.
What is the SMILES notation for [3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride?
The canonical SMILES for [3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride is Cc1nc([NH2+]CCC(Cc2ccccc2)c2ccco2)c2oc3ccccc3c2n1.[Cl-].
What is the InChIKey of [3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride?
The InChIKey is GXAQEACQMPKOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2.ClH/c1-17-27-23-20-10-5-6-11-22(20)30-24(23)25(28-17)26-14-13-19(21-12-7-15-29-21)16-18-8-3-2-4-9-18;/h2-12,15,19H,13-14,16H2,1H3,(H,26,27,28);1H.
What are the key properties of [3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride?
[3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride has a molecular weight of 433.94 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-4-phenylbutyl]-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)azanium chloride is sourced from PubChem (CID 44661013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).