(2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol

C11H19N3O — CID 103906385

IUPAC(2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol
SMILESCc1ncc(C(C)NC[C@H](C)O)c(C)n1
InChIInChI=1S/C11H19N3O/c1-7(15)5-12-8(2)11-6-13-10(4)14-9(11)3/h6-8,12,15H,5H2,1-4H3/t7-,8?/m0/s1
InChIKeyOABCYMZBMYZBAI-JAMMHHFISA-N
MW209.29 g/mol
LogP1.12
Rot. Bonds4

About (2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol

(2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol (PubChem CID 103906385) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol
PubChem CID103906385
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol
SMILESCc1ncc(C(C)NC[C@H](C)O)c(C)n1
InChIInChI=1S/C11H19N3O/c1-7(15)5-12-8(2)11-6-13-10(4)14-9(11)3/h6-8,12,15H,5H2,1-4H3/t7-,8?/m0/s1
InChIKeyOABCYMZBMYZBAI-JAMMHHFISA-N
XLogP1.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol?
The IUPAC name of (2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol (CID 103906385) is (2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol is Cc1ncc(C(C)NC[C@H](C)O)c(C)n1.
What is the InChIKey of (2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol?
The InChIKey is OABCYMZBMYZBAI-JAMMHHFISA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(15)5-12-8(2)11-6-13-10(4)14-9(11)3/h6-8,12,15H,5H2,1-4H3/t7-,8?/m0/s1.
What are the key properties of (2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol?
(2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 103906385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).