2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine

C13H24N4O — CID 133475798

IUPAC2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine
SMILESCOCCC(C)(C)CNc1nccnc1N(C)C
InChIInChI=1S/C13H24N4O/c1-13(2,6-9-18-5)10-16-11-12(17(3)4)15-8-7-14-11/h7-8H,6,9-10H2,1-5H3,(H,14,16)
InChIKeyNPVOVEPVOBDHTQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.02
Rot. Bonds7

About 2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine

2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine (PubChem CID 133475798) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine
PubChem CID133475798
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine
SMILESCOCCC(C)(C)CNc1nccnc1N(C)C
InChIInChI=1S/C13H24N4O/c1-13(2,6-9-18-5)10-16-11-12(17(3)4)15-8-7-14-11/h7-8H,6,9-10H2,1-5H3,(H,14,16)
InChIKeyNPVOVEPVOBDHTQ-UHFFFAOYSA-N
XLogP2.02
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine?
The IUPAC name of 2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine (CID 133475798) is 2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine.
What is the SMILES notation for 2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine?
The canonical SMILES for 2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine is COCCC(C)(C)CNc1nccnc1N(C)C.
What is the InChIKey of 2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine?
The InChIKey is NPVOVEPVOBDHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,6-9-18-5)10-16-11-12(17(3)4)15-8-7-14-11/h7-8H,6,9-10H2,1-5H3,(H,14,16).
What are the key properties of 2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine?
2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-2,2-dimethylbutyl)-3-N,3-N-dimethylpyrazine-2,3-diamine is sourced from PubChem (CID 133475798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).