7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

C24H43FN4O3Si2 — CID 90349714

IUPAC7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@](C)(F)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H43FN4O3Si2/c1-22(2,3)33(8,9)30-14-17-18(32-34(10,11)23(4,5)6)24(7,25)21(31-17)29-13-12-16-19(26)27-15-28-20(16)29/h12-13,15,17-18,21H,14H2,1-11H3,(H2,26,27,28)/t17-,18-,21-,24-/m1/s1
InChIKeyNVKAMFWRPWXQHP-ZUXGEGRZSA-N
MW510.80 g/mol
LogP6.05
Rot. Bonds6

About 7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 90349714) has the molecular formula C24H43FN4O3Si2 and a molecular weight of 510.80 g/mol. Its IUPAC name is 7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID90349714
Molecular FormulaC24H43FN4O3Si2
Molecular Weight510.80 g/mol
Exact Mass510.29
IUPAC Name7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@](C)(F)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H43FN4O3Si2/c1-22(2,3)33(8,9)30-14-17-18(32-34(10,11)23(4,5)6)24(7,25)21(31-17)29-13-12-16-19(26)27-15-28-20(16)29/h12-13,15,17-18,21H,14H2,1-11H3,(H2,26,27,28)/t17-,18-,21-,24-/m1/s1
InChIKeyNVKAMFWRPWXQHP-ZUXGEGRZSA-N
XLogP6.05
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.80
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 90349714) is 7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@](C)(F)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NVKAMFWRPWXQHP-ZUXGEGRZSA-N. The full InChI is InChI=1S/C24H43FN4O3Si2/c1-22(2,3)33(8,9)30-14-17-18(32-34(10,11)23(4,5)6)24(7,25)21(31-17)29-13-12-16-19(26)27-15-28-20(16)29/h12-13,15,17-18,21H,14H2,1-11H3,(H2,26,27,28)/t17-,18-,21-,24-/m1/s1.
What are the key properties of 7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 510.80 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 90349714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).