N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine

C13H17N5O — CID 106298394

IUPACN-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine
SMILESNCC1(Nc2ccc3nccnc3n2)CCOCC1
InChIInChI=1S/C13H17N5O/c14-9-13(3-7-19-8-4-13)18-11-2-1-10-12(17-11)16-6-5-15-10/h1-2,5-6H,3-4,7-9,14H2,(H,16,17,18)
InChIKeyBFLAVKYWPSZKGY-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.94
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine

N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine (PubChem CID 106298394) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine
PubChem CID106298394
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine
SMILESNCC1(Nc2ccc3nccnc3n2)CCOCC1
InChIInChI=1S/C13H17N5O/c14-9-13(3-7-19-8-4-13)18-11-2-1-10-12(17-11)16-6-5-15-10/h1-2,5-6H,3-4,7-9,14H2,(H,16,17,18)
InChIKeyBFLAVKYWPSZKGY-UHFFFAOYSA-N
XLogP0.94
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine (CID 106298394) is N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine is NCC1(Nc2ccc3nccnc3n2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is BFLAVKYWPSZKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-9-13(3-7-19-8-4-13)18-11-2-1-10-12(17-11)16-6-5-15-10/h1-2,5-6H,3-4,7-9,14H2,(H,16,17,18).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine?
N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 259.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 106298394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).