(1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol

C13H21N3O2 — CID 66805016

IUPAC(1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
SMILESCc1nc(C)c(C)c(N[C@@H]2C[C@H](CO)[C@@H](O)C2)n1
InChIInChI=1S/C13H21N3O2/c1-7-8(2)14-9(3)15-13(7)16-11-4-10(6-17)12(18)5-11/h10-12,17-18H,4-6H2,1-3H3,(H,14,15,16)/t10-,11-,12+/m1/s1
InChIKeyFIMHMEUZEBMTCC-UTUOFQBUSA-N
MW251.33 g/mol
LogP0.95
Rot. Bonds3

About (1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol

(1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol (PubChem CID 66805016) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
PubChem CID66805016
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
SMILESCc1nc(C)c(C)c(N[C@@H]2C[C@H](CO)[C@@H](O)C2)n1
InChIInChI=1S/C13H21N3O2/c1-7-8(2)14-9(3)15-13(7)16-11-4-10(6-17)12(18)5-11/h10-12,17-18H,4-6H2,1-3H3,(H,14,15,16)/t10-,11-,12+/m1/s1
InChIKeyFIMHMEUZEBMTCC-UTUOFQBUSA-N
XLogP0.95
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol?
The IUPAC name of (1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol (CID 66805016) is (1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol?
The canonical SMILES for (1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol is Cc1nc(C)c(C)c(N[C@@H]2C[C@H](CO)[C@@H](O)C2)n1.
What is the InChIKey of (1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol?
The InChIKey is FIMHMEUZEBMTCC-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-7-8(2)14-9(3)15-13(7)16-11-4-10(6-17)12(18)5-11/h10-12,17-18H,4-6H2,1-3H3,(H,14,15,16)/t10-,11-,12+/m1/s1.
What are the key properties of (1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol?
(1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 66805016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).