1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one

C19H21N5O3 — CID 121187367

IUPAC1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CC(Nc4ncccn4)C3)CC2=O)cc1
InChIInChI=1S/C19H21N5O3/c1-27-16-5-3-15(4-6-16)24-10-13(9-17(24)25)18(26)23-11-14(12-23)22-19-20-7-2-8-21-19/h2-8,13-14H,9-12H2,1H3,(H,20,21,22)
InChIKeyDJVUHFZUVDRTQA-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.16
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one

1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 121187367) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one
PubChem CID121187367
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CC(Nc4ncccn4)C3)CC2=O)cc1
InChIInChI=1S/C19H21N5O3/c1-27-16-5-3-15(4-6-16)24-10-13(9-17(24)25)18(26)23-11-14(12-23)22-19-20-7-2-8-21-19/h2-8,13-14H,9-12H2,1H3,(H,20,21,22)
InChIKeyDJVUHFZUVDRTQA-UHFFFAOYSA-N
XLogP1.16
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one (CID 121187367) is 1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CC(Nc4ncccn4)C3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DJVUHFZUVDRTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-27-16-5-3-15(4-6-16)24-10-13(9-17(24)25)18(26)23-11-14(12-23)22-19-20-7-2-8-21-19/h2-8,13-14H,9-12H2,1H3,(H,20,21,22).
What are the key properties of 1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one?
1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 367.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121187367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).