1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one

C15H16N4O — CID 62758405

IUPAC1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCc2cncnc2)cc1
InChIInChI=1S/C15H16N4O/c20-15-2-1-7-19(15)14-5-3-13(4-6-14)18-10-12-8-16-11-17-9-12/h3-6,8-9,11,18H,1-2,7,10H2
InChIKeyOSQPCVIXMCPGIL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.22
Rot. Bonds4

About 1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one

1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one (PubChem CID 62758405) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
PubChem CID62758405
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(NCc2cncnc2)cc1
InChIInChI=1S/C15H16N4O/c20-15-2-1-7-19(15)14-5-3-13(4-6-14)18-10-12-8-16-11-17-9-12/h3-6,8-9,11,18H,1-2,7,10H2
InChIKeyOSQPCVIXMCPGIL-UHFFFAOYSA-N
XLogP2.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one
CID 66398416
5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358833
1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 43679653
N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939268
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-[4-(3-phenylpropylamino)phenyl]pyrrolidin-2-one
CID 78820714
2-chloro-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]benzonitrile
CID 133345411

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one (CID 62758405) is 1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(NCc2cncnc2)cc1.
What is the InChIKey of 1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one?
The InChIKey is OSQPCVIXMCPGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-15-2-1-7-19(15)14-5-3-13(4-6-14)18-10-12-8-16-11-17-9-12/h3-6,8-9,11,18H,1-2,7,10H2.
What are the key properties of 1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one?
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 62758405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).