N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

C20H20N4OS — CID 55346983

IUPACN-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1csc(C(CNc2ncnc3c2oc2ccccc23)N2CCCC2)c1
InChIInChI=1S/C20H20N4OS/c1-2-7-16-14(6-1)18-19(25-16)20(23-13-22-18)21-12-15(17-8-5-11-26-17)24-9-3-4-10-24/h1-2,5-8,11,13,15H,3-4,9-10,12H2,(H,21,22,23)
InChIKeyDBLUETNCWBUBGL-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.69
Rot. Bonds5

About N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 55346983) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID55346983
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESc1csc(C(CNc2ncnc3c2oc2ccccc23)N2CCCC2)c1
InChIInChI=1S/C20H20N4OS/c1-2-7-16-14(6-1)18-19(25-16)20(23-13-22-18)21-12-15(17-8-5-11-26-17)24-9-3-4-10-24/h1-2,5-8,11,13,15H,3-4,9-10,12H2,(H,21,22,23)
InChIKeyDBLUETNCWBUBGL-UHFFFAOYSA-N
XLogP4.69
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(2-piperidin-1-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3599381
N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9299932
6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine
CID 138988712
N-propan-2-yl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4678850
5-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)pentanenitrile
CID 133299937
N-[[(2R)-oxolan-2-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2067836
3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]pyrazine-2-carboxamide
CID 126829572
2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol
CID 91645041
N-(cyclooctylideneamino)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9023405
1-naphthalen-1-yl-N'-(2-piperidin-1-yl-2-thiophen-2-ylethyl)methanediamine
CID 110827281
3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 51151164
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 31910848

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 55346983) is N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is c1csc(C(CNc2ncnc3c2oc2ccccc23)N2CCCC2)c1.
What is the InChIKey of N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is DBLUETNCWBUBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-2-7-16-14(6-1)18-19(25-16)20(23-13-22-18)21-12-15(17-8-5-11-26-17)24-9-3-4-10-24/h1-2,5-8,11,13,15H,3-4,9-10,12H2,(H,21,22,23).
What are the key properties of N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 364.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 55346983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).