(1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol

C10H14ClN3O2 — CID 59671353

IUPAC(1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@@H]1C[C@@H](Nc2cc(Cl)ncn2)C[C@@H]1O
InChIInChI=1S/C10H14ClN3O2/c11-9-3-10(13-5-12-9)14-7-1-6(4-15)8(16)2-7/h3,5-8,15-16H,1-2,4H2,(H,12,13,14)/t6-,7+,8-/m0/s1
InChIKeyLVTWRDIQNUYDOG-RNJXMRFFSA-N
MW243.69 g/mol
LogP0.67
Rot. Bonds3

About (1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol

(1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 59671353) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is (1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID59671353
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name(1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@@H]1C[C@@H](Nc2cc(Cl)ncn2)C[C@@H]1O
InChIInChI=1S/C10H14ClN3O2/c11-9-3-10(13-5-12-9)14-7-1-6(4-15)8(16)2-7/h3,5-8,15-16H,1-2,4H2,(H,12,13,14)/t6-,7+,8-/m0/s1
InChIKeyLVTWRDIQNUYDOG-RNJXMRFFSA-N
XLogP0.67
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol (CID 59671353) is (1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol is OC[C@@H]1C[C@@H](Nc2cc(Cl)ncn2)C[C@@H]1O.
What is the InChIKey of (1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is LVTWRDIQNUYDOG-RNJXMRFFSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-9-3-10(13-5-12-9)14-7-1-6(4-15)8(16)2-7/h3,5-8,15-16H,1-2,4H2,(H,12,13,14)/t6-,7+,8-/m0/s1.
What are the key properties of (1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
(1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 243.69 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-[(6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 59671353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).