4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol

C19H26N4O2 — CID 111469802

IUPAC4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
SMILESCc1c(C)n(Cc2ccco2)c2ncnc(NCC(C)(C)CCO)c12
InChIInChI=1S/C19H26N4O2/c1-13-14(2)23(10-15-6-5-9-25-15)18-16(13)17(21-12-22-18)20-11-19(3,4)7-8-24/h5-6,9,12,24H,7-8,10-11H2,1-4H3,(H,20,21,22)
InChIKeyYRIQTVVDZLIXCC-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.51
Rot. Bonds7

About 4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol

4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 111469802) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
PubChem CID111469802
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
SMILESCc1c(C)n(Cc2ccco2)c2ncnc(NCC(C)(C)CCO)c12
InChIInChI=1S/C19H26N4O2/c1-13-14(2)23(10-15-6-5-9-25-15)18-16(13)17(21-12-22-18)20-11-19(3,4)7-8-24/h5-6,9,12,24H,7-8,10-11H2,1-4H3,(H,20,21,22)
InChIKeyYRIQTVVDZLIXCC-UHFFFAOYSA-N
XLogP3.51
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol (CID 111469802) is 4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol is Cc1c(C)n(Cc2ccco2)c2ncnc(NCC(C)(C)CCO)c12.
What is the InChIKey of 4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is YRIQTVVDZLIXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-14(2)23(10-15-6-5-9-25-15)18-16(13)17(21-12-22-18)20-11-19(3,4)7-8-24/h5-6,9,12,24H,7-8,10-11H2,1-4H3,(H,20,21,22).
What are the key properties of 4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 342.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(furan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 111469802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).