3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide

C20H27N3O3 — CID 52511202

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)CC(C)(C)c1ccccc1
InChIInChI=1S/C20H27N3O3/c1-13(12-20(3,4)15-8-6-5-7-9-15)21-17(24)11-10-16-14(2)22-19(26)23-18(16)25/h5-9,13H,10-12H2,1-4H3,(H,21,24)(H2,22,23,25,26)/t13-/m1/s1
InChIKeyWDOIBHFVUOZDCR-CYBMUJFWSA-N
MW357.45 g/mol
LogP2.18
Rot. Bonds7

About 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide (PubChem CID 52511202) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide
PubChem CID52511202
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)CC(C)(C)c1ccccc1
InChIInChI=1S/C20H27N3O3/c1-13(12-20(3,4)15-8-6-5-7-9-15)21-17(24)11-10-16-14(2)22-19(26)23-18(16)25/h5-9,13H,10-12H2,1-4H3,(H,21,24)(H2,22,23,25,26)/t13-/m1/s1
InChIKeyWDOIBHFVUOZDCR-CYBMUJFWSA-N
XLogP2.18
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide
CID 47062727
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94815263
N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 42930049
N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865391
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 52510712
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865434
2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 35355755
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 51093653
3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 133225084
N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 38836509
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51894147

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide (CID 52511202) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N[C@H](C)CC(C)(C)c1ccccc1.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide?
The InChIKey is WDOIBHFVUOZDCR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-13(12-20(3,4)15-8-6-5-7-9-15)21-17(24)11-10-16-14(2)22-19(26)23-18(16)25/h5-9,13H,10-12H2,1-4H3,(H,21,24)(H2,22,23,25,26)/t13-/m1/s1.
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide has a molecular weight of 357.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide is sourced from PubChem (CID 52511202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).