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

C11H17N3O2 — CID 59671218

IUPAC(1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
SMILESCc1cc(N[C@@H]2C[C@@H](CO)[C@@H](O)C2)ncn1
InChIInChI=1S/C11H17N3O2/c1-7-2-11(13-6-12-7)14-9-3-8(5-15)10(16)4-9/h2,6,8-10,15-16H,3-5H2,1H3,(H,12,13,14)/t8-,9+,10-/m0/s1
InChIKeyJMLBBSVQYKSCQF-AEJSXWLSSA-N
MW223.28 g/mol
LogP0.33
Rot. Bonds3

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

(1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol (PubChem CID 59671218) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
PubChem CID59671218
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
SMILESCc1cc(N[C@@H]2C[C@@H](CO)[C@@H](O)C2)ncn1
InChIInChI=1S/C11H17N3O2/c1-7-2-11(13-6-12-7)14-9-3-8(5-15)10(16)4-9/h2,6,8-10,15-16H,3-5H2,1H3,(H,12,13,14)/t8-,9+,10-/m0/s1
InChIKeyJMLBBSVQYKSCQF-AEJSXWLSSA-N
XLogP0.33
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol (CID 59671218) is (1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol is Cc1cc(N[C@@H]2C[C@@H](CO)[C@@H](O)C2)ncn1.
What is the InChIKey of (1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol?
The InChIKey is JMLBBSVQYKSCQF-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-2-11(13-6-12-7)14-9-3-8(5-15)10(16)4-9/h2,6,8-10,15-16H,3-5H2,1H3,(H,12,13,14)/t8-,9+,10-/m0/s1.
What are the key properties of (1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol?
(1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol has a molecular weight of 223.28 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 59671218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).