5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine

C14H18N4O2 — CID 126475107

IUPAC5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine
SMILESNc1ncc(-c2ccoc2)nc1NCC1CCOCC1
InChIInChI=1S/C14H18N4O2/c15-13-14(17-7-10-1-4-19-5-2-10)18-12(8-16-13)11-3-6-20-9-11/h3,6,8-10H,1-2,4-5,7H2,(H2,15,16)(H,17,18)
InChIKeyBLUWPIANSPNBKN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.16
Rot. Bonds4

About 5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine

5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine (PubChem CID 126475107) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine
PubChem CID126475107
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine
SMILESNc1ncc(-c2ccoc2)nc1NCC1CCOCC1
InChIInChI=1S/C14H18N4O2/c15-13-14(17-7-10-1-4-19-5-2-10)18-12(8-16-13)11-3-6-20-9-11/h3,6,8-10H,1-2,4-5,7H2,(H2,15,16)(H,17,18)
InChIKeyBLUWPIANSPNBKN-UHFFFAOYSA-N
XLogP2.16
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine?
The IUPAC name of 5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine (CID 126475107) is 5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine?
The canonical SMILES for 5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine is Nc1ncc(-c2ccoc2)nc1NCC1CCOCC1.
What is the InChIKey of 5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine?
The InChIKey is BLUWPIANSPNBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-13-14(17-7-10-1-4-19-5-2-10)18-12(8-16-13)11-3-6-20-9-11/h3,6,8-10H,1-2,4-5,7H2,(H2,15,16)(H,17,18).
What are the key properties of 5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine?
5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 126475107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).