N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine

C12H15ClN4O — CID 106153854

IUPACN-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
SMILESCOCC(CCCl)Nc1ccc2nccnc2n1
InChIInChI=1S/C12H15ClN4O/c1-18-8-9(4-5-13)16-11-3-2-10-12(17-11)15-7-6-14-10/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,16,17)
InChIKeyQNKSNRNDQZRGOL-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.08
Rot. Bonds6

About N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine

N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 106153854) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID106153854
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
SMILESCOCC(CCCl)Nc1ccc2nccnc2n1
InChIInChI=1S/C12H15ClN4O/c1-18-8-9(4-5-13)16-11-3-2-10-12(17-11)15-7-6-14-10/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,16,17)
InChIKeyQNKSNRNDQZRGOL-UHFFFAOYSA-N
XLogP2.08
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine (CID 106153854) is N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine is COCC(CCCl)Nc1ccc2nccnc2n1.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is QNKSNRNDQZRGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-18-8-9(4-5-13)16-11-3-2-10-12(17-11)15-7-6-14-10/h2-3,6-7,9H,4-5,8H2,1H3,(H,15,16,17).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine?
N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 266.73 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 106153854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).