2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine

C15H14ClN3O — CID 166124631

IUPAC2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESClCc1nc(N2CCCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C15H14ClN3O/c16-9-12-17-13-10-5-1-2-6-11(10)20-14(13)15(18-12)19-7-3-4-8-19/h1-2,5-6H,3-4,7-9H2
InChIKeyHPRHFAJTBQNOOX-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.71
Rot. Bonds2

About 2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine

2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 166124631) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID166124631
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESClCc1nc(N2CCCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C15H14ClN3O/c16-9-12-17-13-10-5-1-2-6-11(10)20-14(13)15(18-12)19-7-3-4-8-19/h1-2,5-6H,3-4,7-9H2
InChIKeyHPRHFAJTBQNOOX-UHFFFAOYSA-N
XLogP3.71
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124766
2-(1-fluoroethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124715
2-ethyl-4-[(3R)-3-methylpiperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 6546581
2-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 3650028
1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid;hydrochloride
CID 52994844
cesium;carbanide;2,4-dipyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;formic acid
CID 177223712
2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 171560233
2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine
CID 166124658
tert-butyl formate;formic acid;2-hexyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 171560223
2-ethyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
CID 52994802
4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 3317067
N-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53010506

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine (CID 166124631) is 2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine is ClCc1nc(N2CCCC2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is HPRHFAJTBQNOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-9-12-17-13-10-5-1-2-6-11(10)20-14(13)15(18-12)19-7-3-4-8-19/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine?
2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 287.75 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 166124631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).