7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine

C15H19N3O4 — CID 122497022

IUPAC7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine
SMILESCO[C@@H]1O[C@@H](n2ccc3c(C)ncnc32)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C15H19N3O4/c1-8-9-5-6-18(12(9)17-7-16-8)13-10-11(14(19-4)20-13)22-15(2,3)21-10/h5-7,10-11,13-14H,1-4H3/t10-,11+,13-,14-/m1/s1
InChIKeyLPKHEKKBOPULSY-ZMJPVWNMSA-N
MW305.33 g/mol
LogP1.76
Rot. Bonds2

About 7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine

7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 122497022) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine
PubChem CID122497022
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine
SMILESCO[C@@H]1O[C@@H](n2ccc3c(C)ncnc32)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C15H19N3O4/c1-8-9-5-6-18(12(9)17-7-16-8)13-10-11(14(19-4)20-13)22-15(2,3)21-10/h5-7,10-11,13-14H,1-4H3/t10-,11+,13-,14-/m1/s1
InChIKeyLPKHEKKBOPULSY-ZMJPVWNMSA-N
XLogP1.76
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

7-[(3aR,4R,6S,6aR)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-methylpyrrolo[2,3-d]pyrimidine
CID 122482658
(1R)-1-[(4R,6S,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethane-1,2-diol
CID 158864399
1-[(3aR,4R,6R,6aS)-2,2-dimethyl-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-yn-1-one
CID 122482745
7-[[(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-3-methoxyquinoline
CID 163890523
[(3aR,4R,6S,6aS)-2,2-dimethyl-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methanone
CID 122482710
6-[[(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-2,3-difluorophenol
CID 139488552
(1R)-1-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-6-chloro-1,4-dihydroisochromen-3-one
CID 139488637
7-[[(3aR,4R,6R)-2,2-dimethyl-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-N-tritylquinolin-2-amine
CID 140961311
2-[(S)-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(3,4-difluorophenyl)methyl]isoindole-1,3-dione
CID 122482668
9-[(3aS,4S,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-6-phenylmethoxypurine
CID 101076383
[(3aR,4R,6R,6aR)-2,2-dimethyl-4-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 176778134
(1R)-1-[(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-6-chloro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 139488394

Frequently Asked Questions

What is the IUPAC name of 7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine (CID 122497022) is 7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine is CO[C@@H]1O[C@@H](n2ccc3c(C)ncnc32)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of 7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is LPKHEKKBOPULSY-ZMJPVWNMSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-8-9-5-6-18(12(9)17-7-16-8)13-10-11(14(19-4)20-13)22-15(2,3)21-10/h5-7,10-11,13-14H,1-4H3/t10-,11+,13-,14-/m1/s1.
What are the key properties of 7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine?
7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 305.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3aS,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 122497022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).