(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol

C10H14FN3O2 — CID 142588254

IUPAC(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@H]1C[C@@H](Nc2ncncc2F)C[C@@H]1O
InChIInChI=1S/C10H14FN3O2/c11-8-3-12-5-13-10(8)14-7-1-6(4-15)9(16)2-7/h3,5-7,9,15-16H,1-2,4H2,(H,12,13,14)/t6-,7-,9+/m1/s1
InChIKeyXNIGHXVLHZROQW-BHNWBGBOSA-N
MW227.24 g/mol
LogP0.16
Rot. Bonds3

About (1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol

(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 142588254) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is (1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID142588254
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@H]1C[C@@H](Nc2ncncc2F)C[C@@H]1O
InChIInChI=1S/C10H14FN3O2/c11-8-3-12-5-13-10(8)14-7-1-6(4-15)9(16)2-7/h3,5-7,9,15-16H,1-2,4H2,(H,12,13,14)/t6-,7-,9+/m1/s1
InChIKeyXNIGHXVLHZROQW-BHNWBGBOSA-N
XLogP0.16
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol (CID 142588254) is (1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol is OC[C@H]1C[C@@H](Nc2ncncc2F)C[C@@H]1O.
What is the InChIKey of (1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is XNIGHXVLHZROQW-BHNWBGBOSA-N. The full InChI is InChI=1S/C10H14FN3O2/c11-8-3-12-5-13-10(8)14-7-1-6(4-15)9(16)2-7/h3,5-7,9,15-16H,1-2,4H2,(H,12,13,14)/t6-,7-,9+/m1/s1.
What are the key properties of (1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
(1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 227.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-4-[(5-fluoropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 142588254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).