2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane

C20H28N6O2Si — CID 164881022

IUPAC2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1nc(C)nc(C2CC2)c1-c1ncc2c(cnn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C20H28N6O2Si/c1-13-23-18(14-6-7-14)17(20(24-13)27-2)19-21-11-16-15(25-19)10-22-26(16)12-28-8-9-29(3,4)5/h10-11,14H,6-9,12H2,1-5H3
InChIKeyNKLZWQQOKLCQRH-UHFFFAOYSA-N
MW412.57 g/mol
LogP3.79
Rot. Bonds8

About 2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164881022) has the molecular formula C20H28N6O2Si and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164881022
Molecular FormulaC20H28N6O2Si
Molecular Weight412.57 g/mol
Exact Mass412.20
IUPAC Name2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1nc(C)nc(C2CC2)c1-c1ncc2c(cnn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C20H28N6O2Si/c1-13-23-18(14-6-7-14)17(20(24-13)27-2)19-21-11-16-15(25-19)10-22-26(16)12-28-8-9-29(3,4)5/h10-11,14H,6-9,12H2,1-5H3
InChIKeyNKLZWQQOKLCQRH-UHFFFAOYSA-N
XLogP3.79
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 171781729
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
2-[[2-(4-cyclopropyl-6-ethoxypyrimidin-5-yl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
CID 164881436
2-[[2-[4-(2,2-difluorocyclopropyl)-6-methoxypyrimidin-5-yl]pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
CID 164881265
2-[[3-bromo-5-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 164881012
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163250691
1-bromo-5-(4-cyclopropyl-2-methoxy-3-pyridinyl)pyrazolo[4,3-d]pyrimidine
CID 164880946
2-[(4-cyclopropyl-2,7-dimethoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 176724184
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 71562636
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (CID 164881022) is 2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is COc1nc(C)nc(C2CC2)c1-c1ncc2c(cnn2COCC[Si](C)(C)C)n1.
What is the InChIKey of 2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is NKLZWQQOKLCQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2Si/c1-13-23-18(14-6-7-14)17(20(24-13)27-2)19-21-11-16-15(25-19)10-22-26(16)12-28-8-9-29(3,4)5/h10-11,14H,6-9,12H2,1-5H3.
What are the key properties of 2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 412.57 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164881022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).