2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine

C13H23N5 — CID 164639580

IUPAC2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine
SMILESCCNc1nccnc1N(C)C[C@H]1CCCN1C
InChIInChI=1S/C13H23N5/c1-4-14-12-13(16-8-7-15-12)18(3)10-11-6-5-9-17(11)2/h7-8,11H,4-6,9-10H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyJXXOENGTNRKWFS-LLVKDONJSA-N
MW249.36 g/mol
LogP1.44
Rot. Bonds5

About 2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine

2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine (PubChem CID 164639580) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine
PubChem CID164639580
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine
SMILESCCNc1nccnc1N(C)C[C@H]1CCCN1C
InChIInChI=1S/C13H23N5/c1-4-14-12-13(16-8-7-15-12)18(3)10-11-6-5-9-17(11)2/h7-8,11H,4-6,9-10H2,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyJXXOENGTNRKWFS-LLVKDONJSA-N
XLogP1.44
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine with MolForge

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Related Compounds

4-(2-(2-Methyl-1H-imidazol-1-yl)ethyl)piperidine
CID 6484685
3-(1H-imidazol-1-yl)piperidine
CID 50986280
9-Methyl-3-pyrazin-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 44304491
3-(2-ethyl-1H-imidazol-1-yl)piperidine
CID 54592639
4-(1H-imidazol-1-yl)piperidine
CID 15789922
3-[2-(propan-2-yl)-1H-imidazol-1-yl]piperidine
CID 54592640
2-(1-ethyl-1H-imidazol-2-yl)piperidine
CID 63970659
N-methyl-1-(pyrazin-2-yl)piperidin-4-amine
CID 23215508
4-Imidazol-1-yl-piperidine hydrochloride
CID 53421765
6-(Pyrrolidin-1-yl)pyrazin-2-amine
CID 66520349
N-[2-(pyrazin-2-ylamino)ethyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 53522071
1-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methylpiperazine
CID 54592590

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine?
The IUPAC name of 2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine (CID 164639580) is 2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine.
What is the SMILES notation for 2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine?
The canonical SMILES for 2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine is CCNc1nccnc1N(C)C[C@H]1CCCN1C.
What is the InChIKey of 2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine?
The InChIKey is JXXOENGTNRKWFS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-14-12-13(16-8-7-15-12)18(3)10-11-6-5-9-17(11)2/h7-8,11H,4-6,9-10H2,1-3H3,(H,14,15)/t11-/m1/s1.
What are the key properties of 2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine?
2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-N-methyl-3-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazine-2,3-diamine is sourced from PubChem (CID 164639580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).