6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine

C16H26N4O — CID 66449873

IUPAC6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine
SMILESCOCCN(c1cncc(CNC2CC2)n1)C(C)C1CC1
InChIInChI=1S/C16H26N4O/c1-12(13-3-4-13)20(7-8-21-2)16-11-17-9-15(19-16)10-18-14-5-6-14/h9,11-14,18H,3-8,10H2,1-2H3
InChIKeyGKLSRRBVPHVWSE-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.98
Rot. Bonds9

About 6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine

6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine (PubChem CID 66449873) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine
PubChem CID66449873
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine
SMILESCOCCN(c1cncc(CNC2CC2)n1)C(C)C1CC1
InChIInChI=1S/C16H26N4O/c1-12(13-3-4-13)20(7-8-21-2)16-11-17-9-15(19-16)10-18-14-5-6-14/h9,11-14,18H,3-8,10H2,1-2H3
InChIKeyGKLSRRBVPHVWSE-UHFFFAOYSA-N
XLogP1.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine?
The IUPAC name of 6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine (CID 66449873) is 6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine.
What is the SMILES notation for 6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine?
The canonical SMILES for 6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine is COCCN(c1cncc(CNC2CC2)n1)C(C)C1CC1.
What is the InChIKey of 6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine?
The InChIKey is GKLSRRBVPHVWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(13-3-4-13)20(7-8-21-2)16-11-17-9-15(19-16)10-18-14-5-6-14/h9,11-14,18H,3-8,10H2,1-2H3.
What are the key properties of 6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine?
6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine has a molecular weight of 290.41 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrazin-2-amine is sourced from PubChem (CID 66449873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).