N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide

C13H21N3O2 — CID 51696529

IUPACN-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide
SMILESCCCc1cc(=O)n(CC(=O)N[C@H](C)CC)cn1
InChIInChI=1S/C13H21N3O2/c1-4-6-11-7-13(18)16(9-14-11)8-12(17)15-10(3)5-2/h7,9-10H,4-6,8H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyIDUUUKZSMGQDMG-SNVBAGLBSA-N
MW251.33 g/mol
LogP1.11
Rot. Bonds6

About N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide

N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide (PubChem CID 51696529) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide
PubChem CID51696529
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide
SMILESCCCc1cc(=O)n(CC(=O)N[C@H](C)CC)cn1
InChIInChI=1S/C13H21N3O2/c1-4-6-11-7-13(18)16(9-14-11)8-12(17)15-10(3)5-2/h7,9-10H,4-6,8H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyIDUUUKZSMGQDMG-SNVBAGLBSA-N
XLogP1.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide 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 N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide (CID 51696529) is N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide is CCCc1cc(=O)n(CC(=O)N[C@H](C)CC)cn1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide?
The InChIKey is IDUUUKZSMGQDMG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-6-11-7-13(18)16(9-14-11)8-12(17)15-10(3)5-2/h7,9-10H,4-6,8H2,1-3H3,(H,15,17)/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide?
N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(6-oxo-4-propylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 51696529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).