[(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol

C18H33ClN4O2Si — CID 155663677

IUPAC[(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol
SMILESCC(C)[Si](O[C@H]1C[C@H](Nc2ncnc(Cl)n2)C[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C18H33ClN4O2Si/c1-11(2)26(12(3)4,13(5)6)25-16-8-15(7-14(16)9-24)22-18-21-10-20-17(19)23-18/h10-16,24H,7-9H2,1-6H3,(H,20,21,22,23)/t14-,15-,16+/m1/s1
InChIKeyZXIGVZOWGQRRSZ-OAGGEKHMSA-N
MW401.03 g/mol
LogP4.27
Rot. Bonds8

About [(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol

[(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol (PubChem CID 155663677) has the molecular formula C18H33ClN4O2Si and a molecular weight of 401.03 g/mol. Its IUPAC name is [(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol
PubChem CID155663677
Molecular FormulaC18H33ClN4O2Si
Molecular Weight401.03 g/mol
Exact Mass400.21
IUPAC Name[(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol
SMILESCC(C)[Si](O[C@H]1C[C@H](Nc2ncnc(Cl)n2)C[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C18H33ClN4O2Si/c1-11(2)26(12(3)4,13(5)6)25-16-8-15(7-14(16)9-24)22-18-21-10-20-17(19)23-18/h10-16,24H,7-9H2,1-6H3,(H,20,21,22,23)/t14-,15-,16+/m1/s1
InChIKeyZXIGVZOWGQRRSZ-OAGGEKHMSA-N
XLogP4.27
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.03
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol?
The IUPAC name of [(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol (CID 155663677) is [(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol.
What is the SMILES notation for [(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol?
The canonical SMILES for [(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol is CC(C)[Si](O[C@H]1C[C@H](Nc2ncnc(Cl)n2)C[C@@H]1CO)(C(C)C)C(C)C.
What is the InChIKey of [(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol?
The InChIKey is ZXIGVZOWGQRRSZ-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H33ClN4O2Si/c1-11(2)26(12(3)4,13(5)6)25-16-8-15(7-14(16)9-24)22-18-21-10-20-17(19)23-18/h10-16,24H,7-9H2,1-6H3,(H,20,21,22,23)/t14-,15-,16+/m1/s1.
What are the key properties of [(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol?
[(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol has a molecular weight of 401.03 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol is sourced from PubChem (CID 155663677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).