1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol

C17H22N4O — CID 135100202

IUPAC1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol
SMILESCc1ccccc1C1(O)CCN(c2nccnc2N(C)C)C1
InChIInChI=1S/C17H22N4O/c1-13-6-4-5-7-14(13)17(22)8-11-21(12-17)16-15(20(2)3)18-9-10-19-16/h4-7,9-10,22H,8,11-12H2,1-3H3
InChIKeyCTKYFUHQLORSCQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.95
Rot. Bonds3

About 1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol

1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol (PubChem CID 135100202) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol
PubChem CID135100202
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol
SMILESCc1ccccc1C1(O)CCN(c2nccnc2N(C)C)C1
InChIInChI=1S/C17H22N4O/c1-13-6-4-5-7-14(13)17(22)8-11-21(12-17)16-15(20(2)3)18-9-10-19-16/h4-7,9-10,22H,8,11-12H2,1-3H3
InChIKeyCTKYFUHQLORSCQ-UHFFFAOYSA-N
XLogP1.95
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol?
The IUPAC name of 1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol (CID 135100202) is 1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol is Cc1ccccc1C1(O)CCN(c2nccnc2N(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol?
The InChIKey is CTKYFUHQLORSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-6-4-5-7-14(13)17(22)8-11-21(12-17)16-15(20(2)3)18-9-10-19-16/h4-7,9-10,22H,8,11-12H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol?
1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol has a molecular weight of 298.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)pyrazin-2-yl]-3-(2-methylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 135100202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).