N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine

C13H18N4O — CID 78988496

IUPACN-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine
SMILESCCCCOCCNc1ccc2nccnc2n1
InChIInChI=1S/C13H18N4O/c1-2-3-9-18-10-8-15-12-5-4-11-13(17-12)16-7-6-14-11/h4-7H,2-3,8-10H2,1H3,(H,15,16,17)
InChIKeyCCORMSXKTVXFQS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.25
Rot. Bonds7

About N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine

N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 78988496) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID78988496
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine
SMILESCCCCOCCNc1ccc2nccnc2n1
InChIInChI=1S/C13H18N4O/c1-2-3-9-18-10-8-15-12-5-4-11-13(17-12)16-7-6-14-11/h4-7H,2-3,8-10H2,1H3,(H,15,16,17)
InChIKeyCCORMSXKTVXFQS-UHFFFAOYSA-N
XLogP2.25
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)pyrido[2,3-b]pyrazin-6-amine
CID 115599008
N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine
CID 133308532
N-(2-ethylsulfonylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 103658809
N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine
CID 78995491
N-(2-methylsulfonylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78955171
N-[2-[(3-methoxyphenyl)methoxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133390223
N-(2-cyclopropylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 79033935
N-[(4-methylcyclohexyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78988476
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133325999
N-(2-butoxyethyl)-5,6-dimethylpyrazin-2-amine
CID 114475476
N'-pyrido[2,3-b]pyrazin-6-yl-N-quinolin-2-ylethane-1,2-diamine
CID 133309761
N-(2-ethoxypropyl)pyrido[2,3-b]pyrazin-6-amine
CID 115658228

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine (CID 78988496) is N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine is CCCCOCCNc1ccc2nccnc2n1.
What is the InChIKey of N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is CCORMSXKTVXFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-3-9-18-10-8-15-12-5-4-11-13(17-12)16-7-6-14-11/h4-7H,2-3,8-10H2,1H3,(H,15,16,17).
What are the key properties of N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine?
N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 246.31 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 78988496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).