2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine

C18H19N5O — CID 175892764

IUPAC2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine
SMILESNc1nccc2nc(NC3CCOCC3)c(-c3ccccc3)nc12
InChIInChI=1S/C18H19N5O/c19-17-16-14(6-9-20-17)22-18(21-13-7-10-24-11-8-13)15(23-16)12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11H2,(H2,19,20)(H,21,22)
InChIKeyCXGHLUAUJQTPOA-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.86
Rot. Bonds3

About 2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine

2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine (PubChem CID 175892764) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine
PubChem CID175892764
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine
SMILESNc1nccc2nc(NC3CCOCC3)c(-c3ccccc3)nc12
InChIInChI=1S/C18H19N5O/c19-17-16-14(6-9-20-17)22-18(21-13-7-10-24-11-8-13)15(23-16)12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11H2,(H2,19,20)(H,21,22)
InChIKeyCXGHLUAUJQTPOA-UHFFFAOYSA-N
XLogP2.86
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(oxan-4-yl)pyridine-2,3-diamine
CID 43609746
4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80790022
N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 170574382
3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine
CID 126474497
6-N-(oxan-4-yl)pyridine-2,6-diamine
CID 80648181
2-(oxan-4-ylamino)pyrimidine-4-carbothioamide
CID 107546679
N-(oxan-4-yl)quinazolin-2-amine
CID 114788886
5-(8-chloroquinolin-6-yl)-3-N-(oxetan-3-yl)-6-phenylpyrazine-2,3-diamine
CID 137431867
5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine
CID 12038530
3-ethynyl-N-(oxan-4-yl)pyridin-2-amine
CID 87270673
2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine
CID 118322992
3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid
CID 167830102

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine?
The IUPAC name of 2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine (CID 175892764) is 2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine is Nc1nccc2nc(NC3CCOCC3)c(-c3ccccc3)nc12.
What is the InChIKey of 2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine?
The InChIKey is CXGHLUAUJQTPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-17-16-14(6-9-20-17)22-18(21-13-7-10-24-11-8-13)15(23-16)12-4-2-1-3-5-12/h1-6,9,13H,7-8,10-11H2,(H2,19,20)(H,21,22).
What are the key properties of 2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine?
2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine has a molecular weight of 321.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine is sourced from PubChem (CID 175892764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).