2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine

C14H20N4O — CID 80796320

IUPAC2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C14H20N4O/c1-4-6-16-13-8-15-9-14(17-13)18(3)10-12-5-7-19-11(12)2/h5,7-9H,4,6,10H2,1-3H3,(H,16,17)
InChIKeyQUSNQDDYLUCIAL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.84
Rot. Bonds6

About 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine

2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 80796320) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
PubChem CID80796320
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)Cc2ccoc2C)n1
InChIInChI=1S/C14H20N4O/c1-4-6-16-13-8-15-9-14(17-13)18(3)10-12-5-7-19-11(12)2/h5,7-9H,4,6,10H2,1-3H3,(H,16,17)
InChIKeyQUSNQDDYLUCIAL-UHFFFAOYSA-N
XLogP2.84
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine (CID 80796320) is 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(N(C)Cc2ccoc2C)n1.
What is the InChIKey of 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is QUSNQDDYLUCIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-6-16-13-8-15-9-14(17-13)18(3)10-12-5-7-19-11(12)2/h5,7-9H,4,6,10H2,1-3H3,(H,16,17).
What are the key properties of 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine?
2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80796320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).