3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine

C17H22N4O — CID 133475832

IUPAC3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine
SMILESCN(C)c1nccnc1NC1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H22N4O/c1-21(2)17-16(18-9-10-19-17)20-14-8-11-22-15(12-14)13-6-4-3-5-7-13/h3-7,9-10,14-15H,8,11-12H2,1-2H3,(H,18,20)
InChIKeyISGWIMKDYCMGKG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.87
Rot. Bonds4

About 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine

3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine (PubChem CID 133475832) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine
PubChem CID133475832
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine
SMILESCN(C)c1nccnc1NC1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H22N4O/c1-21(2)17-16(18-9-10-19-17)20-14-8-11-22-15(12-14)13-6-4-3-5-7-13/h3-7,9-10,14-15H,8,11-12H2,1-2H3,(H,18,20)
InChIKeyISGWIMKDYCMGKG-UHFFFAOYSA-N
XLogP2.87
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine (CID 133475832) is 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine is CN(C)c1nccnc1NC1CCOC(c2ccccc2)C1.
What is the InChIKey of 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine?
The InChIKey is ISGWIMKDYCMGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21(2)17-16(18-9-10-19-17)20-14-8-11-22-15(12-14)13-6-4-3-5-7-13/h3-7,9-10,14-15H,8,11-12H2,1-2H3,(H,18,20).
What are the key properties of 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine?
3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine has a molecular weight of 298.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 133475832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).