5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one

C15H23N3O3 — CID 136968770

IUPAC5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C15H23N3O3/c1-8(2)13-16-9(3)12(14(20)17-13)15(21)18-6-5-11(7-18)10(4)19/h8,10-11,19H,5-7H2,1-4H3,(H,16,17,20)
InChIKeyFQVFCJZYBCVXQJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.04
Rot. Bonds3

About 5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one

5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136968770) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136968770
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C15H23N3O3/c1-8(2)13-16-9(3)12(14(20)17-13)15(21)18-6-5-11(7-18)10(4)19/h8,10-11,19H,5-7H2,1-4H3,(H,16,17,20)
InChIKeyFQVFCJZYBCVXQJ-UHFFFAOYSA-N
XLogP1.04
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115966039
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 112627391
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136880715
5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136968769
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,4,6-trimethyl-3-nitrophenyl)methanone
CID 110026542
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 112627290
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 112627373
(4-amino-1H-pyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623776
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623797
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112623813
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 115966049

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 136968770) is 5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one is Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCC(C(C)O)C1.
What is the InChIKey of 5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FQVFCJZYBCVXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-8(2)13-16-9(3)12(14(20)17-13)15(21)18-6-5-11(7-18)10(4)19/h8,10-11,19H,5-7H2,1-4H3,(H,16,17,20).
What are the key properties of 5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 293.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136968770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).