(4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C14H23N5O2 — CID 164639688

IUPAC(4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](CNc2nccnc2N(C)C)CC1=O
InChIInChI=1S/C14H23N5O2/c1-18(2)14-13(15-4-5-16-14)17-9-11-8-12(20)19(10-11)6-7-21-3/h4-5,11H,6-10H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyPHWBPVLTRIFXCT-LLVKDONJSA-N
MW293.37 g/mol
LogP0.45
Rot. Bonds7

About (4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 164639688) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID164639688
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@@H](CNc2nccnc2N(C)C)CC1=O
InChIInChI=1S/C14H23N5O2/c1-18(2)14-13(15-4-5-16-14)17-9-11-8-12(20)19(10-11)6-7-21-3/h4-5,11H,6-10H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyPHWBPVLTRIFXCT-LLVKDONJSA-N
XLogP0.45
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 164639688) is (4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@@H](CNc2nccnc2N(C)C)CC1=O.
What is the InChIKey of (4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is PHWBPVLTRIFXCT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-18(2)14-13(15-4-5-16-14)17-9-11-8-12(20)19(10-11)6-7-21-3/h4-5,11H,6-10H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 164639688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).