4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione

C19H21N3O2 — CID 90773251

IUPAC4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione
SMILESCC(C)N1CC(c2cc(CCc3ccccc3)ncn2)C(=O)C1=O
InChIInChI=1S/C19H21N3O2/c1-13(2)22-11-16(18(23)19(22)24)17-10-15(20-12-21-17)9-8-14-6-4-3-5-7-14/h3-7,10,12-13,16H,8-9,11H2,1-2H3
InChIKeyVXWCCBFSTJCFIV-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.17
Rot. Bonds5

About 4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione

4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione (PubChem CID 90773251) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione
PubChem CID90773251
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione
SMILESCC(C)N1CC(c2cc(CCc3ccccc3)ncn2)C(=O)C1=O
InChIInChI=1S/C19H21N3O2/c1-13(2)22-11-16(18(23)19(22)24)17-10-15(20-12-21-17)9-8-14-6-4-3-5-7-14/h3-7,10,12-13,16H,8-9,11H2,1-2H3
InChIKeyVXWCCBFSTJCFIV-UHFFFAOYSA-N
XLogP2.17
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-bromo-6-(2-phenylethyl)pyrimidine
CID 121205692
4,6-dibenzylpyrimidine
CID 59375742
1-[3-(2-phenylethyl)-1,2-oxazol-5-yl]ethanamine
CID 114420254
1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one
CID 21025428
1-benzyl-7-phenyl-5-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2,4-dione
CID 126717536
2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone
CID 90901581
2-[[[dimethyl(2-phenylethyl)silyl]amino]-dimethylsilyl]ethylbenzene
CID 12890431
3,4-dichloro-1-(5-methyl-1-phenylhexan-3-yl)pyrrole-2,5-dione
CID 71324814
4-[(1S)-1-phenylethyl]-3-(2-phenylethyl)-1H-1,2,4-triazol-5-one
CID 95211288
5-oxo-1-(1-phenylethyl)-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113183406
(3aR,6aS)-5-(4-phenylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042255
2-[benzyl(cyclopropylmethyl)amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68968168

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione (CID 90773251) is 4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione is CC(C)N1CC(c2cc(CCc3ccccc3)ncn2)C(=O)C1=O.
What is the InChIKey of 4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione?
The InChIKey is VXWCCBFSTJCFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(2)22-11-16(18(23)19(22)24)17-10-15(20-12-21-17)9-8-14-6-4-3-5-7-14/h3-7,10,12-13,16H,8-9,11H2,1-2H3.
What are the key properties of 4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione?
4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione has a molecular weight of 323.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 90773251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).