4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine

C12H22N4O2 — CID 106244415

IUPAC4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine
SMILESCOCC(N)CCNc1cncc(OC(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-9(2)18-12-7-14-6-11(16-12)15-5-4-10(13)8-17-3/h6-7,9-10H,4-5,8,13H2,1-3H3,(H,15,16)
InChIKeyLIYVSVWDKUZSLQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.04
Rot. Bonds8

About 4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine

4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine (PubChem CID 106244415) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine
PubChem CID106244415
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine
SMILESCOCC(N)CCNc1cncc(OC(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-9(2)18-12-7-14-6-11(16-12)15-5-4-10(13)8-17-3/h6-7,9-10H,4-5,8,13H2,1-3H3,(H,15,16)
InChIKeyLIYVSVWDKUZSLQ-UHFFFAOYSA-N
XLogP1.04
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine
CID 65027123
2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid
CID 80539579
3-methoxy-2-N-(6-propan-2-yloxypyrazin-2-yl)propane-1,2-diamine
CID 114154990
3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol
CID 133484788
2-ethyl-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,2-diamine
CID 115306323
6-pentan-2-yloxy-N-propylpyrazin-2-amine
CID 102989461
3-methyl-2-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,2-diamine
CID 65192090
N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine
CID 106117265
1-N-(6-methoxypyrazin-2-yl)-4-methylpentane-1,2-diamine
CID 107159346
3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid
CID 65226992
2,4-dimethyl-2-N-(6-propan-2-yloxypyrazin-2-yl)pentane-1,2-diamine
CID 115310276
6-(1-methoxypropan-2-yloxy)pyrazin-2-amine
CID 80647252

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine?
The IUPAC name of 4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine (CID 106244415) is 4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine.
What is the SMILES notation for 4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine?
The canonical SMILES for 4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine is COCC(N)CCNc1cncc(OC(C)C)n1.
What is the InChIKey of 4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine?
The InChIKey is LIYVSVWDKUZSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(2)18-12-7-14-6-11(16-12)15-5-4-10(13)8-17-3/h6-7,9-10H,4-5,8,13H2,1-3H3,(H,15,16).
What are the key properties of 4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine?
4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine is sourced from PubChem (CID 106244415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).