N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine

C14H19ClN4 — CID 106142055

IUPACN-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine
SMILESCC(C)(CCCCl)CNc1ccc2nccnc2n1
InChIInChI=1S/C14H19ClN4/c1-14(2,6-3-7-15)10-18-12-5-4-11-13(19-12)17-9-8-16-11/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,17,18,19)
InChIKeyYKRRSSNCKNOPHQ-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.48
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine

N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 106142055) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID106142055
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine
SMILESCC(C)(CCCCl)CNc1ccc2nccnc2n1
InChIInChI=1S/C14H19ClN4/c1-14(2,6-3-7-15)10-18-12-5-4-11-13(19-12)17-9-8-16-11/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,17,18,19)
InChIKeyYKRRSSNCKNOPHQ-UHFFFAOYSA-N
XLogP3.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine (CID 106142055) is N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine is CC(C)(CCCCl)CNc1ccc2nccnc2n1.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is YKRRSSNCKNOPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-14(2,6-3-7-15)10-18-12-5-4-11-13(19-12)17-9-8-16-11/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,17,18,19).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine?
N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 278.79 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 106142055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).