2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine

C18H17F2N3O2 — CID 171560233

IUPAC2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESC=CCOC(F)(F)c1nc(N2CCCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C18H17F2N3O2/c1-2-11-24-18(19,20)17-21-14-12-7-3-4-8-13(12)25-15(14)16(22-17)23-9-5-6-10-23/h2-4,7-8H,1,5-6,9-11H2
InChIKeyLCVVYJDVRPGMEJ-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.23
Rot. Bonds5

About 2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine

2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 171560233) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID171560233
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESC=CCOC(F)(F)c1nc(N2CCCC2)c2oc3ccccc3c2n1
InChIInChI=1S/C18H17F2N3O2/c1-2-11-24-18(19,20)17-21-14-12-7-3-4-8-13(12)25-15(14)16(22-17)23-9-5-6-10-23/h2-4,7-8H,1,5-6,9-11H2
InChIKeyLCVVYJDVRPGMEJ-UHFFFAOYSA-N
XLogP4.23
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4,4-difluoro-4-(4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)butoxy]acetic acid
CID 171560193
2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124766
2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124631
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
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
4-piperidin-1-yl-1,3-benzoxazin-2-one
CID 11241695
4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53108157
N-[(4-methylphenyl)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53010506
4-(azepan-1-yl)-N-(4-fluorophenyl)-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53108155
5-ethynyl-3-[(3R)-3-methyloxan-4-yl]-1H-pyridin-2-one;formic acid;4-pyrrolidin-1-yl-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
CID 166125141

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine (CID 171560233) is 2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine is C=CCOC(F)(F)c1nc(N2CCCC2)c2oc3ccccc3c2n1.
What is the InChIKey of 2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is LCVVYJDVRPGMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c1-2-11-24-18(19,20)17-21-14-12-7-3-4-8-13(12)25-15(14)16(22-17)23-9-5-6-10-23/h2-4,7-8H,1,5-6,9-11H2.
What are the key properties of 2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine?
2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 345.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(prop-2-enoxy)methyl]-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 171560233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).