5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine

C16H27N3OSi — CID 125487965

IUPAC5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(c2cnc(N)cn2)CCC1
InChIInChI=1S/C16H27N3OSi/c1-16(2,3)21(4,5)20-13-8-6-7-12(9-13)14-10-19-15(17)11-18-14/h9-11,13H,6-8H2,1-5H3,(H2,17,19)/t13-/m0/s1
InChIKeyTVZRIISUTAPFEI-ZDUSSCGKSA-N
MW305.50 g/mol
LogP4.02
Rot. Bonds3

About 5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine

5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine (PubChem CID 125487965) has the molecular formula C16H27N3OSi and a molecular weight of 305.50 g/mol. Its IUPAC name is 5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine
PubChem CID125487965
Molecular FormulaC16H27N3OSi
Molecular Weight305.50 g/mol
Exact Mass305.19
IUPAC Name5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=C(c2cnc(N)cn2)CCC1
InChIInChI=1S/C16H27N3OSi/c1-16(2,3)21(4,5)20-13-8-6-7-12(9-13)14-10-19-15(17)11-18-14/h9-11,13H,6-8H2,1-5H3,(H2,17,19)/t13-/m0/s1
InChIKeyTVZRIISUTAPFEI-ZDUSSCGKSA-N
XLogP4.02
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine?
The IUPAC name of 5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine (CID 125487965) is 5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine is CC(C)(C)[Si](C)(C)O[C@@H]1C=C(c2cnc(N)cn2)CCC1.
What is the InChIKey of 5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine?
The InChIKey is TVZRIISUTAPFEI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3OSi/c1-16(2,3)21(4,5)20-13-8-6-7-12(9-13)14-10-19-15(17)11-18-14/h9-11,13H,6-8H2,1-5H3,(H2,17,19)/t13-/m0/s1.
What are the key properties of 5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine?
5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine has a molecular weight of 305.50 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]pyrazin-2-amine is sourced from PubChem (CID 125487965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).