5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one

C13H19N3O3 — CID 135971323

IUPAC5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCC(O)C1
InChIInChI=1S/C13H19N3O3/c1-7(2)11-14-8(3)10(12(18)15-11)13(19)16-5-4-9(17)6-16/h7,9,17H,4-6H2,1-3H3,(H,14,15,18)
InChIKeyVKOCAIXYTWMXQG-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.41
Rot. Bonds2

About 5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one

5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135971323) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135971323
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCC(O)C1
InChIInChI=1S/C13H19N3O3/c1-7(2)11-14-8(3)10(12(18)15-11)13(19)16-5-4-9(17)6-16/h7,9,17H,4-6H2,1-3H3,(H,14,15,18)
InChIKeyVKOCAIXYTWMXQG-UHFFFAOYSA-N
XLogP0.41
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 135971323) is 5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one is Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCC(O)C1.
What is the InChIKey of 5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is VKOCAIXYTWMXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7(2)11-14-8(3)10(12(18)15-11)13(19)16-5-4-9(17)6-16/h7,9,17H,4-6H2,1-3H3,(H,14,15,18).
What are the key properties of 5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.31 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypyrrolidine-1-carbonyl)-4-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135971323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).