6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine

C12H19ClN4 — CID 79315343

IUPAC6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
SMILESCCN1CCCC1CN(C)c1cncc(Cl)n1
InChIInChI=1S/C12H19ClN4/c1-3-17-6-4-5-10(17)9-16(2)12-8-14-7-11(13)15-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyYNQPKROBPPWVSS-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.05
Rot. Bonds4

About 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine

6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine (PubChem CID 79315343) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
PubChem CID79315343
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
SMILESCCN1CCCC1CN(C)c1cncc(Cl)n1
InChIInChI=1S/C12H19ClN4/c1-3-17-6-4-5-10(17)9-16(2)12-8-14-7-11(13)15-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyYNQPKROBPPWVSS-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 79311006
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine
CID 79315342
4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 114926731
6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
2-cyclopropyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80959228
3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79319665
[6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79319929
N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 116519037
6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80848598

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine (CID 79315343) is 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine is CCN1CCCC1CN(C)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine?
The InChIKey is YNQPKROBPPWVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-3-17-6-4-5-10(17)9-16(2)12-8-14-7-11(13)15-12/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine?
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 79315343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).