(2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol

C10H18N4O — CID 99778607

IUPAC(2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol
SMILESC[C@H](O)CN(C)c1nccnc1N(C)C
InChIInChI=1S/C10H18N4O/c1-8(15)7-14(4)10-9(13(2)3)11-5-6-12-10/h5-6,8,15H,7H2,1-4H3/t8-/m0/s1
InChIKeyYBLKUMAIRJRIKY-QMMMGPOBSA-N
MW210.28 g/mol
LogP0.36
Rot. Bonds4

About (2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol

(2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol (PubChem CID 99778607) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol
PubChem CID99778607
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol
SMILESC[C@H](O)CN(C)c1nccnc1N(C)C
InChIInChI=1S/C10H18N4O/c1-8(15)7-14(4)10-9(13(2)3)11-5-6-12-10/h5-6,8,15H,7H2,1-4H3/t8-/m0/s1
InChIKeyYBLKUMAIRJRIKY-QMMMGPOBSA-N
XLogP0.36
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol (CID 99778607) is (2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol is C[C@H](O)CN(C)c1nccnc1N(C)C.
What is the InChIKey of (2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol?
The InChIKey is YBLKUMAIRJRIKY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(15)7-14(4)10-9(13(2)3)11-5-6-12-10/h5-6,8,15H,7H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol?
(2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-(dimethylamino)pyrazin-2-yl]-methylamino]propan-2-ol is sourced from PubChem (CID 99778607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).