6-phenylmethoxy-N-propylpyrazin-2-amine

C14H17N3O — CID 80858905

IUPAC6-phenylmethoxy-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(OCc2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-2-8-16-13-9-15-10-14(17-13)18-11-12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,16,17)
InChIKeyUQHDKPYUAWXYDF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.88
Rot. Bonds6

About 6-phenylmethoxy-N-propylpyrazin-2-amine

6-phenylmethoxy-N-propylpyrazin-2-amine (PubChem CID 80858905) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-phenylmethoxy-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-phenylmethoxy-N-propylpyrazin-2-amine
PubChem CID80858905
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-phenylmethoxy-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(OCc2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-2-8-16-13-9-15-10-14(17-13)18-11-12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,16,17)
InChIKeyUQHDKPYUAWXYDF-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-N-propylpyrazin-2-amine?
The IUPAC name of 6-phenylmethoxy-N-propylpyrazin-2-amine (CID 80858905) is 6-phenylmethoxy-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-phenylmethoxy-N-propylpyrazin-2-amine?
The canonical SMILES for 6-phenylmethoxy-N-propylpyrazin-2-amine is CCCNc1cncc(OCc2ccccc2)n1.
What is the InChIKey of 6-phenylmethoxy-N-propylpyrazin-2-amine?
The InChIKey is UQHDKPYUAWXYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-8-16-13-9-15-10-14(17-13)18-11-12-6-4-3-5-7-12/h3-7,9-10H,2,8,11H2,1H3,(H,16,17).
What are the key properties of 6-phenylmethoxy-N-propylpyrazin-2-amine?
6-phenylmethoxy-N-propylpyrazin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-N-propylpyrazin-2-amine is sourced from PubChem (CID 80858905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).