[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane

C82H128BrN17O7Si3 — CID 162182304

IUPAC[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane
SMILESCCCCOc1nc(N)c2c(n1)C(Cc1ccc(CN3CCCC3)nc1)=CC2.CCCCOc1nc(N)c2c(n1)c(Br)cn2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(C(O)c1ccc(CN3CCCC3)nc1)cn2COCC[Si](C)(C)C.CC[SiH](CC)CC.O=Cc1ccc(CN2CCCC2)nc1
InChIInChI=1S/C27H42N6O3Si.C22H29N5O.C16H27BrN4O2Si.C11H14N2O.C6H16Si/c1-5-6-13-36-27-30-23-22(18-33(24(23)26(28)31-27)19-35-14-15-37(2,3)4)25(34)20-9-10-21(29-16-20)17-32-11-7-8-12-32;1-2-3-12-28-22-25-20-17(7-9-19(20)21(23)26-22)13-16-6-8-18(24-14-16)15-27-10-4-5-11-27;1-5-6-7-23-16-19-13-12(17)10-21(14(13)15(18)20-16)11-22-8-9-24(2,3)4;14-9-10-3-4-11(12-7-10)8-13-5-1-2-6-13;1-4-7(5-2)6-3/h9-10,16,18,25,34H,5-8,11-15,17,19H2,1-4H3,(H2,28,30,31);6-8,14H,2-5,9-13,15H2,1H3,(H2,23,25,26);10H,5-9,11H2,1-4H3,(H2,18,19,20);3-4,7,9H,1-2,5-6,8H2;7H,4-6H2,1-3H3
InChIKeyZPERMZNUYUEORX-UHFFFAOYSA-N
MW1628.20 g/mol
LogP16.02
Rot. Bonds36

About [4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane

[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane (PubChem CID 162182304) has the molecular formula C82H128BrN17O7Si3 and a molecular weight of 1628.20 g/mol. Its IUPAC name is [4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane.

Molecular Properties

Compound Name[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane
PubChem CID162182304
Molecular FormulaC82H128BrN17O7Si3
Molecular Weight1628.20 g/mol
Exact Mass1625.87
IUPAC Name[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane
SMILESCCCCOc1nc(N)c2c(n1)C(Cc1ccc(CN3CCCC3)nc1)=CC2.CCCCOc1nc(N)c2c(n1)c(Br)cn2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(C(O)c1ccc(CN3CCCC3)nc1)cn2COCC[Si](C)(C)C.CC[SiH](CC)CC.O=Cc1ccc(CN2CCCC2)nc1
InChIInChI=1S/C27H42N6O3Si.C22H29N5O.C16H27BrN4O2Si.C11H14N2O.C6H16Si/c1-5-6-13-36-27-30-23-22(18-33(24(23)26(28)31-27)19-35-14-15-37(2,3)4)25(34)20-9-10-21(29-16-20)17-32-11-7-8-12-32;1-2-3-12-28-22-25-20-17(7-9-19(20)21(23)26-22)13-16-6-8-18(24-14-16)15-27-10-4-5-11-27;1-5-6-7-23-16-19-13-12(17)10-21(14(13)15(18)20-16)11-22-8-9-24(2,3)4;14-9-10-3-4-11(12-7-10)8-13-5-1-2-6-13;1-4-7(5-2)6-3/h9-10,16,18,25,34H,5-8,11-15,17,19H2,1-4H3,(H2,28,30,31);6-8,14H,2-5,9-13,15H2,1H3,(H2,23,25,26);10H,5-9,11H2,1-4H3,(H2,18,19,20);3-4,7,9H,1-2,5-6,8H2;7H,4-6H2,1-3H3
InChIKeyZPERMZNUYUEORX-UHFFFAOYSA-N
XLogP16.02
TPSA297.10 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001628.20
LogP ≤ 516.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze [4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane with MolForge

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Related Compounds

CID 157480829
CID 157480829
[4-Amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate
CID 158268275
CID 158413737
CID 158413737
5-[[4-Amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carbaldehyde;[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-(6-chloro-3-pyridinyl)methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[(6-chloro-3-pyridinyl)methyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;6-chloropyridine-3-carbaldehyde;methane;methyl 5-[[4-amino-6-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate;methyl 5-[[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methyl]pyridine-2-carboxylate
CID 162016083
Ethyl 4-[1-[2-[6-bromo-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-oxoethyl]piperidin-4-yl]butanoate;3-hydroxy-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;1-[6-imidazol-1-yl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone
CID 167627160
2-[[4-[1-(2-Trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
CID 174155672

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane?
The IUPAC name of [4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane (CID 162182304) is [4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane.
What is the SMILES notation for [4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane?
The canonical SMILES for [4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane is CCCCOc1nc(N)c2c(n1)C(Cc1ccc(CN3CCCC3)nc1)=CC2.CCCCOc1nc(N)c2c(n1)c(Br)cn2COCC[Si](C)(C)C.CCCCOc1nc(N)c2c(n1)c(C(O)c1ccc(CN3CCCC3)nc1)cn2COCC[Si](C)(C)C.CC[SiH](CC)CC.O=Cc1ccc(CN2CCCC2)nc1.
What is the InChIKey of [4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane?
The InChIKey is ZPERMZNUYUEORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N6O3Si.C22H29N5O.C16H27BrN4O2Si.C11H14N2O.C6H16Si/c1-5-6-13-36-27-30-23-22(18-33(24(23)26(28)31-27)19-35-14-15-37(2,3)4)25(34)20-9-10-21(29-16-20)17-32-11-7-8-12-32;1-2-3-12-28-22-25-20-17(7-9-19(20)21(23)26-22)13-16-6-8-18(24-14-16)15-27-10-4-5-11-27;1-5-6-7-23-16-19-13-12(17)10-21(14(13)15(18)20-16)11-22-8-9-24(2,3)4;14-9-10-3-4-11(12-7-10)8-13-5-1-2-6-13;1-4-7(5-2)6-3/h9-10,16,18,25,34H,5-8,11-15,17,19H2,1-4H3,(H2,28,30,31);6-8,14H,2-5,9-13,15H2,1H3,(H2,23,25,26);10H,5-9,11H2,1-4H3,(H2,18,19,20);3-4,7,9H,1-2,5-6,8H2;7H,4-6H2,1-3H3.
What are the key properties of [4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane?
[4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane has a molecular weight of 1628.20 g/mol, XLogP of 16.02, 36 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methanol;7-bromo-2-butoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-butoxy-7-[[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]methyl]-5H-cyclopenta[d]pyrimidin-4-amine;6-(pyrrolidin-1-ylmethyl)pyridine-3-carbaldehyde;triethylsilane is sourced from PubChem (CID 162182304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).