(2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol

C12H21N3O2 — CID 126426597

IUPAC(2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCCc1nc(N(C)C[C@H](O)COC)ncc1C
InChIInChI=1S/C12H21N3O2/c1-5-11-9(2)6-13-12(14-11)15(3)7-10(16)8-17-4/h6,10,16H,5,7-8H2,1-4H3/t10-/m0/s1
InChIKeyFQIAEBAQZMWTGG-JTQLQIEISA-N
MW239.32 g/mol
LogP0.79
Rot. Bonds6

About (2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol

(2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 126426597) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID126426597
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCCc1nc(N(C)C[C@H](O)COC)ncc1C
InChIInChI=1S/C12H21N3O2/c1-5-11-9(2)6-13-12(14-11)15(3)7-10(16)8-17-4/h6,10,16H,5,7-8H2,1-4H3/t10-/m0/s1
InChIKeyFQIAEBAQZMWTGG-JTQLQIEISA-N
XLogP0.79
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of (2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol (CID 126426597) is (2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol is CCc1nc(N(C)C[C@H](O)COC)ncc1C.
What is the InChIKey of (2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is FQIAEBAQZMWTGG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-11-9(2)6-13-12(14-11)15(3)7-10(16)8-17-4/h6,10,16H,5,7-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol?
(2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-ethyl-5-methylpyrimidin-2-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 126426597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).