2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine

C15H27N5 — CID 164631385

IUPAC2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine
SMILESC[C@@H](CCN(C)c1nccnc1N(C)C)N1CCCC1
InChIInChI=1S/C15H27N5/c1-13(20-10-5-6-11-20)7-12-19(4)15-14(18(2)3)16-8-9-17-15/h8-9,13H,5-7,10-12H2,1-4H3/t13-/m0/s1
InChIKeyWOGPJDYUMPOJQF-ZDUSSCGKSA-N
MW277.42 g/mol
LogP1.85
Rot. Bonds6

About 2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine

2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine (PubChem CID 164631385) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine
PubChem CID164631385
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine
SMILESC[C@@H](CCN(C)c1nccnc1N(C)C)N1CCCC1
InChIInChI=1S/C15H27N5/c1-13(20-10-5-6-11-20)7-12-19(4)15-14(18(2)3)16-8-9-17-15/h8-9,13H,5-7,10-12H2,1-4H3/t13-/m0/s1
InChIKeyWOGPJDYUMPOJQF-ZDUSSCGKSA-N
XLogP1.85
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine?
The IUPAC name of 2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine (CID 164631385) is 2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine.
What is the SMILES notation for 2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine?
The canonical SMILES for 2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine is C[C@@H](CCN(C)c1nccnc1N(C)C)N1CCCC1.
What is the InChIKey of 2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine?
The InChIKey is WOGPJDYUMPOJQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N5/c1-13(20-10-5-6-11-20)7-12-19(4)15-14(18(2)3)16-8-9-17-15/h8-9,13H,5-7,10-12H2,1-4H3/t13-/m0/s1.
What are the key properties of 2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine?
2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine has a molecular weight of 277.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-N-trimethyl-3-N-[(3S)-3-pyrrolidin-1-ylbutyl]pyrazine-2,3-diamine is sourced from PubChem (CID 164631385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).