N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine

C17H22N4O2 — CID 124572827

IUPACN-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
SMILESCOc1cc(OC)cc(N2CC[C@H](CNc3cnccn3)C2)c1
InChIInChI=1S/C17H22N4O2/c1-22-15-7-14(8-16(9-15)23-2)21-6-3-13(12-21)10-20-17-11-18-4-5-19-17/h4-5,7-9,11,13H,3,6,10,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyMJDNRUOSPMVMNJ-CYBMUJFWSA-N
MW314.39 g/mol
LogP2.43
Rot. Bonds6

About N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine

N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine (PubChem CID 124572827) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
PubChem CID124572827
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
SMILESCOc1cc(OC)cc(N2CC[C@H](CNc3cnccn3)C2)c1
InChIInChI=1S/C17H22N4O2/c1-22-15-7-14(8-16(9-15)23-2)21-6-3-13(12-21)10-20-17-11-18-4-5-19-17/h4-5,7-9,11,13H,3,6,10,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyMJDNRUOSPMVMNJ-CYBMUJFWSA-N
XLogP2.43
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carboxylic acid
CID 122054293
3-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methylamino]pyrazine-2-carbonitrile
CID 154750162
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 102563230
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 122136877
6-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95290155
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419706
N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methoxypyrazin-2-amine
CID 125437374
tert-butyl (3S)-3-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97171199
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 154750165
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133486651
(1S,5R)-N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 99848777
(2R)-2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119898744

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine (CID 124572827) is N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine is COc1cc(OC)cc(N2CC[C@H](CNc3cnccn3)C2)c1.
What is the InChIKey of N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine?
The InChIKey is MJDNRUOSPMVMNJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-22-15-7-14(8-16(9-15)23-2)21-6-3-13(12-21)10-20-17-11-18-4-5-19-17/h4-5,7-9,11,13H,3,6,10,12H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine?
N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 124572827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).