6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine

C26H27FN4O3 — CID 91247571

IUPAC6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine
SMILESCCN1CCN(c2ncnc3oc(-c4cc(OC)cc(OC)c4)c(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C26H27FN4O3/c1-4-30-9-11-31(12-10-30)25-23-22(17-5-7-19(27)8-6-17)24(34-26(23)29-16-28-25)18-13-20(32-2)15-21(14-18)33-3/h5-8,13-16H,4,9-12H2,1-3H3
InChIKeyFUCIBHFCQIALBL-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.86
Rot. Bonds6

About 6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine

6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine (PubChem CID 91247571) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine
PubChem CID91247571
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine
SMILESCCN1CCN(c2ncnc3oc(-c4cc(OC)cc(OC)c4)c(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C26H27FN4O3/c1-4-30-9-11-31(12-10-30)25-23-22(17-5-7-19(27)8-6-17)24(34-26(23)29-16-28-25)18-13-20(32-2)15-21(14-18)33-3/h5-8,13-16H,4,9-12H2,1-3H3
InChIKeyFUCIBHFCQIALBL-UHFFFAOYSA-N
XLogP4.86
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine with MolForge

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Related Compounds

6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine
CID 142215854
5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine
CID 142215847
1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 91228180
4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]benzoic acid
CID 91381525
1-[4-[5-(4-fluorophenyl)-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]furo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 91134713
1-[5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-amine
CID 90759187
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581
[1-[6-(6-chloro-3-pyridinyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamic acid
CID 87955479
N-benzyl-5-[4-(4-methylpiperazin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]pyridin-2-amine
CID 142215825
N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-phenyl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 11663866
1-(4-ethylpiperazin-1-yl)-6-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503083
5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 58603257

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine (CID 91247571) is 6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine is CCN1CCN(c2ncnc3oc(-c4cc(OC)cc(OC)c4)c(-c4ccc(F)cc4)c23)CC1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine?
The InChIKey is FUCIBHFCQIALBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-4-30-9-11-31(12-10-30)25-23-22(17-5-7-19(27)8-6-17)24(34-26(23)29-16-28-25)18-13-20(32-2)15-21(14-18)33-3/h5-8,13-16H,4,9-12H2,1-3H3.
What are the key properties of 6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine?
6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine has a molecular weight of 462.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine is sourced from PubChem (CID 91247571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).