3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide

C14H23N3O2 — CID 135836565

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)NC(C)C(C)C)c(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-8(2)9(3)16-13(18)7-6-12-10(4)15-11(5)17-14(12)19/h8-9H,6-7H2,1-5H3,(H,16,18)(H,15,17,19)
InChIKeyRCZBRKGOYPBHMR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.48
Rot. Bonds5

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide (PubChem CID 135836565) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide
PubChem CID135836565
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)NC(C)C(C)C)c(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-8(2)9(3)16-13(18)7-6-12-10(4)15-11(5)17-14(12)19/h8-9H,6-7H2,1-5H3,(H,16,18)(H,15,17,19)
InChIKeyRCZBRKGOYPBHMR-UHFFFAOYSA-N
XLogP1.48
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
CID 135896886
N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide
CID 136542887
N-(4,4-difluoropiperidin-3-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 138001618
N-[3-(2-Acetamido-6-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)propyl]acetamide
CID 135463847
N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]acetamide
CID 135463848
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide
CID 135896967
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methylhexan-2-yl)propanamide
CID 136080807
2,3,6-Trimethyl-5-piperidin-4-ylpyrimidin-4-one
CID 134211368
2-methyl-5-(2-methylpropyl)-4-pentan-2-yl-1H-pyrimidin-6-one
CID 137256092
5-Tert-butyl-2,3-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 142713876
4-butyl-5-ethyl-2-[3-(methylamino)pentyl]-1H-pyrimidin-6-one
CID 144503914
4-methyl-5-[2-(propylamino)propyl]-1H-pyrimidin-6-one
CID 175040589

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide (CID 135836565) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide is Cc1nc(C)c(CCC(=O)NC(C)C(C)C)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide?
The InChIKey is RCZBRKGOYPBHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8(2)9(3)16-13(18)7-6-12-10(4)15-11(5)17-14(12)19/h8-9H,6-7H2,1-5H3,(H,16,18)(H,15,17,19).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 135836565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).