2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine

C16H14ClF2N3O2 — CID 71451374

IUPAC2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine
SMILESFc1cc(-c2nc3c(c(N4CCOCC4)n2)COC3)c(F)cc1Cl
InChIInChI=1S/C16H14ClF2N3O2/c17-11-6-12(18)9(5-13(11)19)15-20-14-8-24-7-10(14)16(21-15)22-1-3-23-4-2-22/h5-6H,1-4,7-8H2
InChIKeyRVELKJBAOZBEHO-UHFFFAOYSA-N
MW353.76 g/mol
LogP2.94
Rot. Bonds2

About 2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine

2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine (PubChem CID 71451374) has the molecular formula C16H14ClF2N3O2 and a molecular weight of 353.76 g/mol. Its IUPAC name is 2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine
PubChem CID71451374
Molecular FormulaC16H14ClF2N3O2
Molecular Weight353.76 g/mol
Exact Mass353.07
IUPAC Name2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine
SMILESFc1cc(-c2nc3c(c(N4CCOCC4)n2)COC3)c(F)cc1Cl
InChIInChI=1S/C16H14ClF2N3O2/c17-11-6-12(18)9(5-13(11)19)15-20-14-8-24-7-10(14)16(21-15)22-1-3-23-4-2-22/h5-6H,1-4,7-8H2
InChIKeyRVELKJBAOZBEHO-UHFFFAOYSA-N
XLogP2.94
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.76
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine?
The IUPAC name of 2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine (CID 71451374) is 2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine.
What is the SMILES notation for 2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine?
The canonical SMILES for 2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine is Fc1cc(-c2nc3c(c(N4CCOCC4)n2)COC3)c(F)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine?
The InChIKey is RVELKJBAOZBEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N3O2/c17-11-6-12(18)9(5-13(11)19)15-20-14-8-24-7-10(14)16(21-15)22-1-3-23-4-2-22/h5-6H,1-4,7-8H2.
What are the key properties of 2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine?
2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine has a molecular weight of 353.76 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine is sourced from PubChem (CID 71451374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).