1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one

C19H23N5O — CID 56799375

IUPAC1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cnc(N3CCCC3)nc2)CN1c1ccccc1
InChIInChI=1S/C19H23N5O/c25-18-10-16(14-24(18)17-6-2-1-3-7-17)20-11-15-12-21-19(22-13-15)23-8-4-5-9-23/h1-3,6-7,12-13,16,20H,4-5,8-11,14H2
InChIKeyRVDNOAADYKDIHA-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.97
Rot. Bonds5

About 1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one

1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one (PubChem CID 56799375) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one
PubChem CID56799375
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cnc(N3CCCC3)nc2)CN1c1ccccc1
InChIInChI=1S/C19H23N5O/c25-18-10-16(14-24(18)17-6-2-1-3-7-17)20-11-15-12-21-19(22-13-15)23-8-4-5-9-23/h1-3,6-7,12-13,16,20H,4-5,8-11,14H2
InChIKeyRVDNOAADYKDIHA-UHFFFAOYSA-N
XLogP1.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one (CID 56799375) is 1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one is O=C1CC(NCc2cnc(N3CCCC3)nc2)CN1c1ccccc1.
What is the InChIKey of 1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one?
The InChIKey is RVDNOAADYKDIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-18-10-16(14-24(18)17-6-2-1-3-7-17)20-11-15-12-21-19(22-13-15)23-8-4-5-9-23/h1-3,6-7,12-13,16,20H,4-5,8-11,14H2.
What are the key properties of 1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one?
1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one has a molecular weight of 337.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 56799375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).