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3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine

C14H23ClN4 — CID 105419883

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine
SMILESCc1nc(Cl)c(N(C)CC2(N(C)C)CCC2)nc1C
InChIInChI=1S/C14H23ClN4/c1-10-11(2)17-13(12(15)16-10)19(5)9-14(18(3)4)7-6-8-14/h6-9H2,1-5H3
InChIKeyDULONNHUNHOYMJ-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.67
Rot. Bonds4

About 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine

3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine (PubChem CID 105419883) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine
PubChem CID105419883
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine
SMILESCc1nc(Cl)c(N(C)CC2(N(C)C)CCC2)nc1C
InChIInChI=1S/C14H23ClN4/c1-10-11(2)17-13(12(15)16-10)19(5)9-14(18(3)4)7-6-8-14/h6-9H2,1-5H3
InChIKeyDULONNHUNHOYMJ-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine?
The IUPAC name of 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine (CID 105419883) is 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine is Cc1nc(Cl)c(N(C)CC2(N(C)C)CCC2)nc1C.
What is the InChIKey of 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine?
The InChIKey is DULONNHUNHOYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-10-11(2)17-13(12(15)16-10)19(5)9-14(18(3)4)7-6-8-14/h6-9H2,1-5H3.
What are the key properties of 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine?
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine has a molecular weight of 282.82 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,5,6-trimethylpyrazin-2-amine is sourced from PubChem (CID 105419883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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