5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol

C13H24N4O — CID 103895908

IUPAC5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol
SMILESCCNc1cncc(NCC(C)(C)CCCO)n1
InChIInChI=1S/C13H24N4O/c1-4-15-11-8-14-9-12(17-11)16-10-13(2,3)6-5-7-18/h8-9,18H,4-7,10H2,1-3H3,(H2,15,16,17)
InChIKeyVHXOKGKTSQQKFO-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.12
Rot. Bonds8

About 5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol

5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 103895908) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol
PubChem CID103895908
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol
SMILESCCNc1cncc(NCC(C)(C)CCCO)n1
InChIInChI=1S/C13H24N4O/c1-4-15-11-8-14-9-12(17-11)16-10-13(2,3)6-5-7-18/h8-9,18H,4-7,10H2,1-3H3,(H2,15,16,17)
InChIKeyVHXOKGKTSQQKFO-UHFFFAOYSA-N
XLogP2.12
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(ethylamino)pyrazin-2-yl]amino]-2-methylpropane-1,2-diol
CID 80851576
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149856
N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 114149316
5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 103895914
4,4-dimethyl-5-[(4-methyl-2-pyridinyl)amino]pentan-1-ol
CID 103896007
4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol
CID 103895878
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149850
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 106141224
(2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol
CID 130625870
6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid
CID 106148798
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136987605
1-[[6-(ethylamino)pyrazin-2-yl]amino]propan-2-ol
CID 78990450

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol (CID 103895908) is 5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol is CCNc1cncc(NCC(C)(C)CCCO)n1.
What is the InChIKey of 5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is VHXOKGKTSQQKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-15-11-8-14-9-12(17-11)16-10-13(2,3)6-5-7-18/h8-9,18H,4-7,10H2,1-3H3,(H2,15,16,17).
What are the key properties of 5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol?
5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103895908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).