6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine

C25H29FN6O2 — CID 25124364

IUPAC6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESCC1(C)CN(Cc2cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3o2)CCN1
InChIInChI=1S/C25H29FN6O2/c1-25(2)15-31(8-7-28-25)14-16-13-20-22(34-16)24(32-9-11-33-12-10-32)30-23(29-20)21-17-5-6-27-19(17)4-3-18(21)26/h3-6,13,27-28H,7-12,14-15H2,1-2H3
InChIKeyCPTUCXOITTUTOE-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.53
Rot. Bonds4

About 6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine

6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine (PubChem CID 25124364) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is 6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
PubChem CID25124364
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC Name6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
SMILESCC1(C)CN(Cc2cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3o2)CCN1
InChIInChI=1S/C25H29FN6O2/c1-25(2)15-31(8-7-28-25)14-16-13-20-22(34-16)24(32-9-11-33-12-10-32)30-23(29-20)21-17-5-6-27-19(17)4-3-18(21)26/h3-6,13,27-28H,7-12,14-15H2,1-2H3
InChIKeyCPTUCXOITTUTOE-UHFFFAOYSA-N
XLogP3.53
TPSA82.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine with MolForge

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Related Compounds

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CID 16045087
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CID 24992904
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CID 44426435
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CID 53246589
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CID 53324074
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Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine (CID 25124364) is 6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine is CC1(C)CN(Cc2cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3o2)CCN1.
What is the InChIKey of 6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
The InChIKey is CPTUCXOITTUTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-25(2)15-31(8-7-28-25)14-16-13-20-22(34-16)24(32-9-11-33-12-10-32)30-23(29-20)21-17-5-6-27-19(17)4-3-18(21)26/h3-6,13,27-28H,7-12,14-15H2,1-2H3.
What are the key properties of 6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine?
6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine has a molecular weight of 464.55 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-dimethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 25124364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).