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

C25H25FN4O3 — CID 142215854

IUPAC6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine
SMILESCOc1cc(OC)cc(-c2oc3ncnc(N4CCN(C)CC4)c3c2-c2ccc(F)cc2)c1
InChIInChI=1S/C25H25FN4O3/c1-29-8-10-30(11-9-29)24-22-21(16-4-6-18(26)7-5-16)23(33-25(22)28-15-27-24)17-12-19(31-2)14-20(13-17)32-3/h4-7,12-15H,8-11H2,1-3H3
InChIKeyPIQIDNKVPGLFES-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.46
Rot. Bonds5

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

6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine (PubChem CID 142215854) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine
PubChem CID142215854
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine
SMILESCOc1cc(OC)cc(-c2oc3ncnc(N4CCN(C)CC4)c3c2-c2ccc(F)cc2)c1
InChIInChI=1S/C25H25FN4O3/c1-29-8-10-30(11-9-29)24-22-21(16-4-6-18(26)7-5-16)23(33-25(22)28-15-27-24)17-12-19(31-2)14-20(13-17)32-3/h4-7,12-15H,8-11H2,1-3H3
InChIKeyPIQIDNKVPGLFES-UHFFFAOYSA-N
XLogP4.46
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,5-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidine
CID 91247571
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
N-benzyl-5-[4-(4-methylpiperazin-1-yl)-5-phenylfuro[2,3-d]pyrimidin-6-yl]pyridin-2-amine
CID 142215825
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-[6-(6-chloro-3-pyridinyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]carbamic acid
CID 87955479
tert-butyl N-[(2S)-1-[4-[5-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)furo[2,3-d]pyrimidin-6-yl]anilino]-1-oxopropan-2-yl]carbamate
CID 90907553
5-(4-methoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 10272361
6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
CID 10271893
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)-9H-pyrimido[4,5-b]indole
CID 14293777

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine (CID 142215854) is 6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine is COc1cc(OC)cc(-c2oc3ncnc(N4CCN(C)CC4)c3c2-c2ccc(F)cc2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine?
The InChIKey is PIQIDNKVPGLFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-29-8-10-30(11-9-29)24-22-21(16-4-6-18(26)7-5-16)23(33-25(22)28-15-27-24)17-12-19(31-2)14-20(13-17)32-3/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of 6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine?
6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine has a molecular weight of 448.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-5-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)furo[2,3-d]pyrimidine is sourced from PubChem (CID 142215854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).