(3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one

C12H19N5O — CID 95144260

IUPAC(3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCc1nc(N(C)C)nc(N[C@H]2CCNC2=O)c1C
InChIInChI=1S/C12H19N5O/c1-7-8(2)14-12(17(3)4)16-10(7)15-9-5-6-13-11(9)18/h9H,5-6H2,1-4H3,(H,13,18)(H,14,15,16)/t9-/m0/s1
InChIKeyOTZHTZCCWNBTIV-VIFPVBQESA-N
MW249.32 g/mol
LogP0.46
Rot. Bonds3

About (3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one

(3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 95144260) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one
PubChem CID95144260
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCc1nc(N(C)C)nc(N[C@H]2CCNC2=O)c1C
InChIInChI=1S/C12H19N5O/c1-7-8(2)14-12(17(3)4)16-10(7)15-9-5-6-13-11(9)18/h9H,5-6H2,1-4H3,(H,13,18)(H,14,15,16)/t9-/m0/s1
InChIKeyOTZHTZCCWNBTIV-VIFPVBQESA-N
XLogP0.46
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one (CID 95144260) is (3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one is Cc1nc(N(C)C)nc(N[C@H]2CCNC2=O)c1C.
What is the InChIKey of (3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is OTZHTZCCWNBTIV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N5O/c1-7-8(2)14-12(17(3)4)16-10(7)15-9-5-6-13-11(9)18/h9H,5-6H2,1-4H3,(H,13,18)(H,14,15,16)/t9-/m0/s1.
What are the key properties of (3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one?
(3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 95144260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).