1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one

C15H20N4O — CID 110914080

IUPAC1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CNC2=NCCCN2)cc1
InChIInChI=1S/C15H20N4O/c20-14-3-1-10-19(14)13-6-4-12(5-7-13)11-18-15-16-8-2-9-17-15/h4-7H,1-3,8-11H2,(H2,16,17,18)
InChIKeyJGWAAZYOPJTHPG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.25
Rot. Bonds3

About 1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one

1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one (PubChem CID 110914080) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one
PubChem CID110914080
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CNC2=NCCCN2)cc1
InChIInChI=1S/C15H20N4O/c20-14-3-1-10-19(14)13-6-4-12(5-7-13)11-18-15-16-8-2-9-17-15/h4-7H,1-3,8-11H2,(H2,16,17,18)
InChIKeyJGWAAZYOPJTHPG-UHFFFAOYSA-N
XLogP1.25
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]methyl]pyrrolidin-2-one;hydroiodide
CID 110915322
N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110916115
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
CID 64990546
1-[4-[[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]methyl]phenyl]pyrrolidin-2-one
CID 134714236
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914624
1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea
CID 120655377
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110925548
5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358833

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one (CID 110914080) is 1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(CNC2=NCCCN2)cc1.
What is the InChIKey of 1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one?
The InChIKey is JGWAAZYOPJTHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c20-14-3-1-10-19(14)13-6-4-12(5-7-13)11-18-15-16-8-2-9-17-15/h4-7H,1-3,8-11H2,(H2,16,17,18).
What are the key properties of 1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one?
1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 110914080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).