1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine

C19H15ClFN3O — CID 141132035

IUPAC1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine
SMILESFc1cccc(COc2ccc(N3CN=Cc4[nH]ccc43)cc2Cl)c1
InChIInChI=1S/C19H15ClFN3O/c20-16-9-15(24-12-22-10-17-18(24)6-7-23-17)4-5-19(16)25-11-13-2-1-3-14(21)8-13/h1-10,23H,11-12H2
InChIKeyPBDYCJOPIFNMRY-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.91
Rot. Bonds4

About 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine

1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine (PubChem CID 141132035) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine
PubChem CID141132035
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine
SMILESFc1cccc(COc2ccc(N3CN=Cc4[nH]ccc43)cc2Cl)c1
InChIInChI=1S/C19H15ClFN3O/c20-16-9-15(24-12-22-10-17-18(24)6-7-23-17)4-5-19(16)25-11-13-2-1-3-14(21)8-13/h1-10,23H,11-12H2
InChIKeyPBDYCJOPIFNMRY-UHFFFAOYSA-N
XLogP4.91
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[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

1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(2-methylpropyl)-2H-pyrrolo[3,2-d]pyrimidine
CID 141132075
9-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-1,5,7,9-tetrazatricyclo[6.4.2.04,13]tetradeca-2,4(13),5,7-tetraene
CID 143966050
3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43108388
2-[1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]pyrazol-3-yl]oxy-N-methylethanamine
CID 69471928
5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline
CID 146470006
1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]triazol-1-yl]-2H-quinazolin-4-amine
CID 141295553
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide
CID 33064509
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine?
The IUPAC name of 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine (CID 141132035) is 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine is Fc1cccc(COc2ccc(N3CN=Cc4[nH]ccc43)cc2Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine?
The InChIKey is PBDYCJOPIFNMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c20-16-9-15(24-12-22-10-17-18(24)6-7-23-17)4-5-19(16)25-11-13-2-1-3-14(21)8-13/h1-10,23H,11-12H2.
What are the key properties of 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine?
1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine has a molecular weight of 355.80 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2,5-dihydropyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 141132035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).