[(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol

C19H34FN3O2Si — CID 141433641

IUPAC[(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol
SMILESCC(C)[Si](O[C@@H]1[C@@H](CO)C[C@@H](Nc2ccncn2)[C@H]1F)(C(C)C)C(C)C
InChIInChI=1S/C19H34FN3O2Si/c1-12(2)26(13(3)4,14(5)6)25-19-15(10-24)9-16(18(19)20)23-17-7-8-21-11-22-17/h7-8,11-16,18-19,24H,9-10H2,1-6H3,(H,21,22,23)/t15-,16-,18-,19-/m1/s1
InChIKeyDQPKNJOFTMZAET-PSBWJHGTSA-N
MW383.58 g/mol
LogP4.17
Rot. Bonds8

About [(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol

[(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol (PubChem CID 141433641) has the molecular formula C19H34FN3O2Si and a molecular weight of 383.58 g/mol. Its IUPAC name is [(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol
PubChem CID141433641
Molecular FormulaC19H34FN3O2Si
Molecular Weight383.58 g/mol
Exact Mass383.24
IUPAC Name[(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol
SMILESCC(C)[Si](O[C@@H]1[C@@H](CO)C[C@@H](Nc2ccncn2)[C@H]1F)(C(C)C)C(C)C
InChIInChI=1S/C19H34FN3O2Si/c1-12(2)26(13(3)4,14(5)6)25-19-15(10-24)9-16(18(19)20)23-17-7-8-21-11-22-17/h7-8,11-16,18-19,24H,9-10H2,1-6H3,(H,21,22,23)/t15-,16-,18-,19-/m1/s1
InChIKeyDQPKNJOFTMZAET-PSBWJHGTSA-N
XLogP4.17
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
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 [(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol?
The IUPAC name of [(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol (CID 141433641) is [(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol.
What is the SMILES notation for [(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol?
The canonical SMILES for [(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol is CC(C)[Si](O[C@@H]1[C@@H](CO)C[C@@H](Nc2ccncn2)[C@H]1F)(C(C)C)C(C)C.
What is the InChIKey of [(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol?
The InChIKey is DQPKNJOFTMZAET-PSBWJHGTSA-N. The full InChI is InChI=1S/C19H34FN3O2Si/c1-12(2)26(13(3)4,14(5)6)25-19-15(10-24)9-16(18(19)20)23-17-7-8-21-11-22-17/h7-8,11-16,18-19,24H,9-10H2,1-6H3,(H,21,22,23)/t15-,16-,18-,19-/m1/s1.
What are the key properties of [(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol?
[(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol has a molecular weight of 383.58 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol is sourced from PubChem (CID 141433641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).