3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol

C10H18N4O2 — CID 80851576

IUPAC3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol
SMILESCCNc1cncc(NCC(C)(O)CO)n1
InChIInChI=1S/C10H18N4O2/c1-3-12-8-4-11-5-9(14-8)13-6-10(2,16)7-15/h4-5,15-16H,3,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyDZVBLTHFUHFAOO-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.06
Rot. Bonds6

About 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol

3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol (PubChem CID 80851576) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol
PubChem CID80851576
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol
SMILESCCNc1cncc(NCC(C)(O)CO)n1
InChIInChI=1S/C10H18N4O2/c1-3-12-8-4-11-5-9(14-8)13-6-10(2,16)7-15/h4-5,15-16H,3,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyDZVBLTHFUHFAOO-UHFFFAOYSA-N
XLogP0.06
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol
CID 103895908
(2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol
CID 130625870
1-[[6-(ethylamino)pyrazin-2-yl]amino]propan-2-ol
CID 78990450
[1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 79478877
2-N-ethylpyrazine-2,6-diamine
CID 69290778
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80850772
2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80763352
3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66169557
6-N-ethyl-2-N-(3-methylbutyl)pyrazine-2,6-diamine
CID 78917989
1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80843498
3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80851169
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol (CID 80851576) is 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol is CCNc1cncc(NCC(C)(O)CO)n1.
What is the InChIKey of 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol?
The InChIKey is DZVBLTHFUHFAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-12-8-4-11-5-9(14-8)13-6-10(2,16)7-15/h4-5,15-16H,3,6-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol?
3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol has a molecular weight of 226.28 g/mol, XLogP of 0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 80851576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).