2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine

C14H12ClN3O — CID 166124766

IUPAC2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1nc(N2CCCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C14H12ClN3O/c15-14-16-11-9-5-1-2-6-10(9)19-12(11)13(17-14)18-7-3-4-8-18/h1-2,5-6H,3-4,7-8H2
InChIKeyWRKMJQBWZUMTRF-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.63
Rot. Bonds1

About 2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine

2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 166124766) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID166124766
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1nc(N2CCCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C14H12ClN3O/c15-14-16-11-9-5-1-2-6-10(9)19-12(11)13(17-14)18-7-3-4-8-18/h1-2,5-6H,3-4,7-8H2
InChIKeyWRKMJQBWZUMTRF-UHFFFAOYSA-N
XLogP3.63
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124631
4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine
CID 118232289
2-(1-fluoroethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124715
cesium;carbanide;2,4-dipyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;formic acid
CID 177223712
4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 3317067
2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine
CID 166124658
2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 171560233
4-[4-(2-chlorophenyl)piperazin-4-ium-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine chloride
CID 44662543
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
CID 52994815
N-(3,4-difluorophenyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 156599917
4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid
CID 20873532
4-(azepan-1-yl)-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53108155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine (CID 166124766) is 2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine is Clc1nc(N2CCCC2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is WRKMJQBWZUMTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-14-16-11-9-5-1-2-6-10(9)19-12(11)13(17-14)18-7-3-4-8-18/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine?
2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 273.72 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 166124766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).