7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

C20H33ClN4O4Si — CID 90703672

IUPAC7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(N3CCc4c(Cl)nc(N)nc43)[C@@H]2O1
InChIInChI=1S/C20H33ClN4O4Si/c1-19(2,3)30(6,7)26-10-12-13-14(29-20(4,5)28-13)17(27-12)25-9-8-11-15(21)23-18(22)24-16(11)25/h12-14,17H,8-10H2,1-7H3,(H2,22,23,24)/t12-,13-,14-,17?/m1/s1
InChIKeyRRUWFDKPVLHBPJ-OMNQEHGGSA-N
MW457.05 g/mol
LogP3.34
Rot. Bonds4

About 7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 90703672) has the molecular formula C20H33ClN4O4Si and a molecular weight of 457.05 g/mol. Its IUPAC name is 7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID90703672
Molecular FormulaC20H33ClN4O4Si
Molecular Weight457.05 g/mol
Exact Mass456.20
IUPAC Name7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(N3CCc4c(Cl)nc(N)nc43)[C@@H]2O1
InChIInChI=1S/C20H33ClN4O4Si/c1-19(2,3)30(6,7)26-10-12-13-14(29-20(4,5)28-13)17(27-12)25-9-8-11-15(21)23-18(22)24-16(11)25/h12-14,17H,8-10H2,1-7H3,(H2,22,23,24)/t12-,13-,14-,17?/m1/s1
InChIKeyRRUWFDKPVLHBPJ-OMNQEHGGSA-N
XLogP3.34
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.05
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (CID 90703672) is 7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is CC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)OC(N3CCc4c(Cl)nc(N)nc43)[C@@H]2O1.
What is the InChIKey of 7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is RRUWFDKPVLHBPJ-OMNQEHGGSA-N. The full InChI is InChI=1S/C20H33ClN4O4Si/c1-19(2,3)30(6,7)26-10-12-13-14(29-20(4,5)28-13)17(27-12)25-9-8-11-15(21)23-18(22)24-16(11)25/h12-14,17H,8-10H2,1-7H3,(H2,22,23,24)/t12-,13-,14-,17?/m1/s1.
What are the key properties of 7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 457.05 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 90703672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).