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

C12H22N4O2 — CID 114151042

IUPAC4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine
SMILESCCCOc1cncc(NC(CCN)COC)n1
InChIInChI=1S/C12H22N4O2/c1-3-6-18-12-8-14-7-11(16-12)15-10(4-5-13)9-17-2/h7-8,10H,3-6,9,13H2,1-2H3,(H,15,16)
InChIKeyMTXZAVMTXNJEGH-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.04
Rot. Bonds9

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

4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine (PubChem CID 114151042) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine
PubChem CID114151042
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine
SMILESCCCOc1cncc(NC(CCN)COC)n1
InChIInChI=1S/C12H22N4O2/c1-3-6-18-12-8-14-7-11(16-12)15-10(4-5-13)9-17-2/h7-8,10H,3-6,9,13H2,1-2H3,(H,15,16)
InChIKeyMTXZAVMTXNJEGH-UHFFFAOYSA-N
XLogP1.04
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
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

2-N-(6-ethoxypyrazin-2-yl)-3-methoxypropane-1,2-diamine
CID 106182379
3-methoxy-2-N-(6-methoxypyrazin-2-yl)propane-1,2-diamine
CID 106181983
2-methyl-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine
CID 113485176
3,3-dimethyl-2-N-(6-propoxypyrazin-2-yl)butane-1,2-diamine
CID 114208188
3-methoxy-2-N-(6-propan-2-yloxypyrazin-2-yl)propane-1,2-diamine
CID 114154990
3-N-(6-ethoxypyrazin-2-yl)butane-1,3-diamine
CID 83179069
3-N-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 106154692
1-cyclopentyl-N-(6-propoxypyrazin-2-yl)ethane-1,2-diamine
CID 106738232
methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate
CID 66458303
3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
CID 114154931
6-butoxy-N-ethylpyrazin-2-amine
CID 80865504
(2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid
CID 122062796

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine?
The IUPAC name of 4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine (CID 114151042) is 4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine.
What is the SMILES notation for 4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine?
The canonical SMILES for 4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine is CCCOc1cncc(NC(CCN)COC)n1.
What is the InChIKey of 4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine?
The InChIKey is MTXZAVMTXNJEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-6-18-12-8-14-7-11(16-12)15-10(4-5-13)9-17-2/h7-8,10H,3-6,9,13H2,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine?
4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-N-(6-propoxypyrazin-2-yl)butane-1,3-diamine is sourced from PubChem (CID 114151042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).