N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine

C13H20ClN3 — CID 102871463

IUPACN-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(N(CCCCl)C2CCC2)nc1C
InChIInChI=1S/C13H20ClN3/c1-10-11(2)16-13(9-15-10)17(8-4-7-14)12-5-3-6-12/h9,12H,3-8H2,1-2H3
InChIKeyZJDVYUVYJTUPLT-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.08
Rot. Bonds5

About N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine

N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine (PubChem CID 102871463) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine
PubChem CID102871463
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(N(CCCCl)C2CCC2)nc1C
InChIInChI=1S/C13H20ClN3/c1-10-11(2)16-13(9-15-10)17(8-4-7-14)12-5-3-6-12/h9,12H,3-8H2,1-2H3
InChIKeyZJDVYUVYJTUPLT-UHFFFAOYSA-N
XLogP3.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N'-(5,6-dimethylpyrazin-2-yl)ethane-1,2-diamine
CID 114477609
N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine
CID 102871477
N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine
CID 102871504
N-(3-chloropropyl)-N-cyclobutyl-3-methylquinoxalin-2-amine
CID 102871425
N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
CID 102871366
N-(2-chloroethyl)-N-cyclopentyl-5-methylpyridin-2-amine
CID 63388501
2-[cyclopropyl-(5,6-dimethylpyrazin-2-yl)amino]acetic acid
CID 114474311
N-(3-chloropropyl)-N-cyclobutyl-4-methoxy-6-methylpyrimidin-2-amine
CID 102871414
N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine
CID 63388277
N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine
CID 102871699
3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol
CID 102846714
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine (CID 102871463) is N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine is Cc1ncc(N(CCCCl)C2CCC2)nc1C.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine?
The InChIKey is ZJDVYUVYJTUPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-10-11(2)16-13(9-15-10)17(8-4-7-14)12-5-3-6-12/h9,12H,3-8H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine?
N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine has a molecular weight of 253.78 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 102871463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).