1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one

C15H23N5O — CID 126899370

IUPAC1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCN(C)c1ccnc(N2CCC(N3CCCC3=O)CC2)n1
InChIInChI=1S/C15H23N5O/c1-18(2)13-5-8-16-15(17-13)19-10-6-12(7-11-19)20-9-3-4-14(20)21/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyGYHCUYZWFCELCZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.13
Rot. Bonds3

About 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899370) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899370
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCN(C)c1ccnc(N2CCC(N3CCCC3=O)CC2)n1
InChIInChI=1S/C15H23N5O/c1-18(2)13-5-8-16-15(17-13)19-10-6-12(7-11-19)20-9-3-4-14(20)21/h5,8,12H,3-4,6-7,9-11H2,1-2H3
InChIKeyGYHCUYZWFCELCZ-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one (CID 126899370) is 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one is CN(C)c1ccnc(N2CCC(N3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is GYHCUYZWFCELCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-18(2)13-5-8-16-15(17-13)19-10-6-12(7-11-19)20-9-3-4-14(20)21/h5,8,12H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).