(2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol

C9H16N4O — CID 130625870

IUPAC(2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol
SMILESCCNc1cncc(N[C@@H](C)CO)n1
InChIInChI=1S/C9H16N4O/c1-3-11-8-4-10-5-9(13-8)12-7(2)6-14/h4-5,7,14H,3,6H2,1-2H3,(H2,11,12,13)/t7-/m0/s1
InChIKeyKYIHEPAUANOUJK-ZETCQYMHSA-N
MW196.25 g/mol
LogP0.70
Rot. Bonds5

About (2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol

(2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol (PubChem CID 130625870) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol
PubChem CID130625870
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol
SMILESCCNc1cncc(N[C@@H](C)CO)n1
InChIInChI=1S/C9H16N4O/c1-3-11-8-4-10-5-9(13-8)12-7(2)6-14/h4-5,7,14H,3,6H2,1-2H3,(H2,11,12,13)/t7-/m0/s1
InChIKeyKYIHEPAUANOUJK-ZETCQYMHSA-N
XLogP0.70
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-2-N-(4-methoxybutan-2-yl)pyrazine-2,6-diamine
CID 78916118
6-N-ethyl-2-N-(1-pyrazol-1-ylpropan-2-yl)pyrazine-2,6-diamine
CID 78990628
1-[[6-(ethylamino)pyrazin-2-yl]amino]propan-2-ol
CID 78990450
6-N-ethyl-2-N-(3-methylbutyl)pyrazine-2,6-diamine
CID 78917989
3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
CID 80848976
3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol
CID 80851576
[1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 79478877
2-[(6-benzylsulfanylpyrazin-2-yl)amino]propan-1-ol
CID 133389846
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
CID 133428096
2-N-ethylpyrazine-2,6-diamine
CID 69290778
5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol
CID 103895908
2-[[6-(ethylamino)pyrazin-2-yl]amino]-N-propylacetamide
CID 78990280

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol (CID 130625870) is (2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol is CCNc1cncc(N[C@@H](C)CO)n1.
What is the InChIKey of (2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol?
The InChIKey is KYIHEPAUANOUJK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-11-8-4-10-5-9(13-8)12-7(2)6-14/h4-5,7,14H,3,6H2,1-2H3,(H2,11,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol?
(2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 130625870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).