6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine

C18H24N4O2 — CID 124951209

IUPAC6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
SMILESCNc1cncc([C@@H]2CCCN2Cc2ccc(OC)cc2OC)n1
InChIInChI=1S/C18H24N4O2/c1-19-18-11-20-10-15(21-18)16-5-4-8-22(16)12-13-6-7-14(23-2)9-17(13)24-3/h6-7,9-11,16H,4-5,8,12H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyDGJZQBKEGQXYME-INIZCTEOSA-N
MW328.42 g/mol
LogP2.87
Rot. Bonds6

About 6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine

6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine (PubChem CID 124951209) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
PubChem CID124951209
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
SMILESCNc1cncc([C@@H]2CCCN2Cc2ccc(OC)cc2OC)n1
InChIInChI=1S/C18H24N4O2/c1-19-18-11-20-10-15(21-18)16-5-4-8-22(16)12-13-6-7-14(23-2)9-17(13)24-3/h6-7,9-11,16H,4-5,8,12H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyDGJZQBKEGQXYME-INIZCTEOSA-N
XLogP2.87
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951210
6-[(2R)-1-[[2-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124996999
5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836335
3-[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809393
6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124996383
N-methyl-6-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine
CID 132776032
N-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125003062
N-methyl-6-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 132775734
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95056275
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 92554036
1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125011127

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine?
The IUPAC name of 6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine (CID 124951209) is 6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine?
The canonical SMILES for 6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine is CNc1cncc([C@@H]2CCCN2Cc2ccc(OC)cc2OC)n1.
What is the InChIKey of 6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine?
The InChIKey is DGJZQBKEGQXYME-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-19-18-11-20-10-15(21-18)16-5-4-8-22(16)12-13-6-7-14(23-2)9-17(13)24-3/h6-7,9-11,16H,4-5,8,12H2,1-3H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine?
6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 124951209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).