2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine

C12H21N5 — CID 80777612

IUPAC2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
SMILESCCN1CCCC1CNc1cncc(NC)n1
InChIInChI=1S/C12H21N5/c1-3-17-6-4-5-10(17)7-15-12-9-14-8-11(13-2)16-12/h8-10H,3-7H2,1-2H3,(H2,13,15,16)
InChIKeySJPDZQQAJBTJDX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds5

About 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine (PubChem CID 80777612) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
PubChem CID80777612
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
SMILESCCN1CCCC1CNc1cncc(NC)n1
InChIInChI=1S/C12H21N5/c1-3-17-6-4-5-10(17)7-15-12-9-14-8-11(13-2)16-12/h8-10H,3-7H2,1-2H3,(H2,13,15,16)
InChIKeySJPDZQQAJBTJDX-UHFFFAOYSA-N
XLogP1.41
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531544
6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80791828
5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 143313007
2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
CID 43450881
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 28819878
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile
CID 83074714
6-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 133460649
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324409
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-phenylpyrimidin-4-amine
CID 143955101

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine (CID 80777612) is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine is CCN1CCCC1CNc1cncc(NC)n1.
What is the InChIKey of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
The InChIKey is SJPDZQQAJBTJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-17-6-4-5-10(17)7-15-12-9-14-8-11(13-2)16-12/h8-10H,3-7H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80777612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).