1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one

C22H29N5O — CID 72903842

IUPAC1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one
SMILESCc1cc(C)nc(N2CCC(NCc3ccc(N4CCCC4=O)cc3)CC2)n1
InChIInChI=1S/C22H29N5O/c1-16-14-17(2)25-22(24-16)26-12-9-19(10-13-26)23-15-18-5-7-20(8-6-18)27-11-3-4-21(27)28/h5-8,14,19,23H,3-4,9-13,15H2,1-2H3
InChIKeyAZRNJDLSPFUCLM-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.98
Rot. Bonds5

About 1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one

1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 72903842) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one
PubChem CID72903842
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one
SMILESCc1cc(C)nc(N2CCC(NCc3ccc(N4CCCC4=O)cc3)CC2)n1
InChIInChI=1S/C22H29N5O/c1-16-14-17(2)25-22(24-16)26-12-9-19(10-13-26)23-15-18-5-7-20(8-6-18)27-11-3-4-21(27)28/h5-8,14,19,23H,3-4,9-13,15H2,1-2H3
InChIKeyAZRNJDLSPFUCLM-UHFFFAOYSA-N
XLogP2.98
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 166608936
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
CID 64990546
1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 72842762
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 24732665
1-[4-[(prop-2-ynylamino)methyl]phenyl]pyrrolidin-2-one
CID 60697157
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 135108946
2-hydroxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110013970
1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 102867991
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
1-(4-methylphenyl)-2-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 60566003

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one (CID 72903842) is 1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one is Cc1cc(C)nc(N2CCC(NCc3ccc(N4CCCC4=O)cc3)CC2)n1.
What is the InChIKey of 1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is AZRNJDLSPFUCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-16-14-17(2)25-22(24-16)26-12-9-19(10-13-26)23-15-18-5-7-20(8-6-18)27-11-3-4-21(27)28/h5-8,14,19,23H,3-4,9-13,15H2,1-2H3.
What are the key properties of 1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 379.51 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 72903842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).