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

C14H21N5O — CID 164636504

IUPAC(4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCN(C)c1nccnc1NC[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H21N5O/c1-18(2)14-13(15-5-6-16-14)17-8-10-7-12(20)19(9-10)11-3-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyKWEGSNGYGAAUCE-SNVBAGLBSA-N
MW275.36 g/mol
LogP0.97
Rot. Bonds5

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

(4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 164636504) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
PubChem CID164636504
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESCN(C)c1nccnc1NC[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H21N5O/c1-18(2)14-13(15-5-6-16-14)17-8-10-7-12(20)19(9-10)11-3-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyKWEGSNGYGAAUCE-SNVBAGLBSA-N
XLogP0.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one (CID 164636504) is (4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one is CN(C)c1nccnc1NC[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is KWEGSNGYGAAUCE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N5O/c1-18(2)14-13(15-5-6-16-14)17-8-10-7-12(20)19(9-10)11-3-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one?
(4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 275.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 164636504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).