N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine

C16H29N3OSSi — CID 141103714

IUPACN-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nccc(N[C@@H]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1
InChIInChI=1S/C16H29N3OSSi/c1-16(2,3)22(5,6)20-13-8-7-12(11-13)18-14-9-10-17-15(19-14)21-4/h9-10,12-13H,7-8,11H2,1-6H3,(H,17,18,19)/t12-,13-/m1/s1
InChIKeyUAAJUTHLEITKLE-CHWSQXEVSA-N
MW339.58 g/mol
LogP4.55
Rot. Bonds5

About N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine

N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 141103714) has the molecular formula C16H29N3OSSi and a molecular weight of 339.58 g/mol. Its IUPAC name is N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine
PubChem CID141103714
Molecular FormulaC16H29N3OSSi
Molecular Weight339.58 g/mol
Exact Mass339.18
IUPAC NameN-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nccc(N[C@@H]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1
InChIInChI=1S/C16H29N3OSSi/c1-16(2,3)22(5,6)20-13-8-7-12(11-13)18-14-9-10-17-15(19-14)21-4/h9-10,12-13H,7-8,11H2,1-6H3,(H,17,18,19)/t12-,13-/m1/s1
InChIKeyUAAJUTHLEITKLE-CHWSQXEVSA-N
XLogP4.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine (CID 141103714) is N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine is CSc1nccc(N[C@@H]2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1.
What is the InChIKey of N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is UAAJUTHLEITKLE-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H29N3OSSi/c1-16(2,3)22(5,6)20-13-8-7-12(11-13)18-14-9-10-17-15(19-14)21-4/h9-10,12-13H,7-8,11H2,1-6H3,(H,17,18,19)/t12-,13-/m1/s1.
What are the key properties of N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine?
N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 339.58 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 141103714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).