5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C25H46N4O3Si2 — CID 66583626

IUPAC5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOC1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)CC1
InChIInChI=1S/C25H46N4O3Si2/c1-30-22-10-8-21(9-11-22)23-18-25(29-24(27-23)12-13-26-29)28(19-31-14-16-33(2,3)4)20-32-15-17-34(5,6)7/h12-13,18,21-22H,8-11,14-17,19-20H2,1-7H3
InChIKeyKAQZDMMRVCSJPY-UHFFFAOYSA-N
MW506.84 g/mol
LogP5.83
Rot. Bonds13

About 5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 66583626) has the molecular formula C25H46N4O3Si2 and a molecular weight of 506.84 g/mol. Its IUPAC name is 5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID66583626
Molecular FormulaC25H46N4O3Si2
Molecular Weight506.84 g/mol
Exact Mass506.31
IUPAC Name5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOC1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)CC1
InChIInChI=1S/C25H46N4O3Si2/c1-30-22-10-8-21(9-11-22)23-18-25(29-24(27-23)12-13-26-29)28(19-31-14-16-33(2,3)4)20-32-15-17-34(5,6)7/h12-13,18,21-22H,8-11,14-17,19-20H2,1-7H3
InChIKeyKAQZDMMRVCSJPY-UHFFFAOYSA-N
XLogP5.83
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.84
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 66583626) is 5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COC1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)CC1.
What is the InChIKey of 5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KAQZDMMRVCSJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O3Si2/c1-30-22-10-8-21(9-11-22)23-18-25(29-24(27-23)12-13-26-29)28(19-31-14-16-33(2,3)4)20-32-15-17-34(5,6)7/h12-13,18,21-22H,8-11,14-17,19-20H2,1-7H3.
What are the key properties of 5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 506.84 g/mol, XLogP of 5.83, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxycyclohexyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 66583626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).