[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol

C19H30N4O4Sn — CID 16682863

IUPAC[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol
SMILESCCCC[Sn]1(CCCC)OC2C(CO)OC(n3ccc4c(N)ncnc43)C2O1
InChIInChI=1S/C11H12N4O4.2C4H9.Sn/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11;2*1-3-4-2;/h1-2,4,6-8,11,16H,3H2,(H2,12,13,14);2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyGZAAFTYLKMHKID-UHFFFAOYSA-N
MW497.18 g/mol
LogP2.73
Rot. Bonds8

About [4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol

[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol (PubChem CID 16682863) has the molecular formula C19H30N4O4Sn and a molecular weight of 497.18 g/mol. Its IUPAC name is [4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol.

Molecular Properties

Compound Name[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol
PubChem CID16682863
Molecular FormulaC19H30N4O4Sn
Molecular Weight497.18 g/mol
Exact Mass498.13
IUPAC Name[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol
SMILESCCCC[Sn]1(CCCC)OC2C(CO)OC(n3ccc4c(N)ncnc43)C2O1
InChIInChI=1S/C11H12N4O4.2C4H9.Sn/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11;2*1-3-4-2;/h1-2,4,6-8,11,16H,3H2,(H2,12,13,14);2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyGZAAFTYLKMHKID-UHFFFAOYSA-N
XLogP2.73
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.18
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol?
The IUPAC name of [4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol (CID 16682863) is [4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol.
What is the SMILES notation for [4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol?
The canonical SMILES for [4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol is CCCC[Sn]1(CCCC)OC2C(CO)OC(n3ccc4c(N)ncnc43)C2O1.
What is the InChIKey of [4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol?
The InChIKey is GZAAFTYLKMHKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4.2C4H9.Sn/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11;2*1-3-4-2;/h1-2,4,6-8,11,16H,3H2,(H2,12,13,14);2*1,3-4H2,2H3;/q-2;;;+2.
What are the key properties of [4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol?
[4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol has a molecular weight of 497.18 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dibutyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol is sourced from PubChem (CID 16682863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).