3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol

C12H22N4O — CID 80848976

IUPAC3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
SMILESCCCNc1cncc(NC(CO)C(C)C)n1
InChIInChI=1S/C12H22N4O/c1-4-5-14-11-6-13-7-12(16-11)15-10(8-17)9(2)3/h6-7,9-10,17H,4-5,8H2,1-3H3,(H2,14,15,16)
InChIKeyUQXHZFUBKHULCI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.73
Rot. Bonds7

About 3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol

3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol (PubChem CID 80848976) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
PubChem CID80848976
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
SMILESCCCNc1cncc(NC(CO)C(C)C)n1
InChIInChI=1S/C12H22N4O/c1-4-5-14-11-6-13-7-12(16-11)15-10(8-17)9(2)3/h6-7,9-10,17H,4-5,8H2,1-3H3,(H2,14,15,16)
InChIKeyUQXHZFUBKHULCI-UHFFFAOYSA-N
XLogP1.73
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine
CID 80801033
3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535214
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
(2S)-2-[[6-(ethylamino)pyrazin-2-yl]amino]propan-1-ol
CID 130625870
4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
CID 106358070
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603
2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine
CID 106028710
2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890913
2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80801786
(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 114982685
2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol
CID 114475973
2-[2-hydroxyethyl-[6-(propylamino)pyrazin-2-yl]amino]ethanol
CID 80797495

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol (CID 80848976) is 3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol is CCCNc1cncc(NC(CO)C(C)C)n1.
What is the InChIKey of 3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol?
The InChIKey is UQXHZFUBKHULCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-14-11-6-13-7-12(16-11)15-10(8-17)9(2)3/h6-7,9-10,17H,4-5,8H2,1-3H3,(H2,14,15,16).
What are the key properties of 3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol?
3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 80848976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).