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

C13H21N3O3 — CID 42930049

IUPACN-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(C)C(C)C
InChIInChI=1S/C13H21N3O3/c1-7(2)8(3)14-11(17)6-5-10-9(4)15-13(19)16-12(10)18/h7-8H,5-6H2,1-4H3,(H,14,17)(H2,15,16,18,19)
InChIKeyAGAOBNUIFTXFQF-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.46
Rot. Bonds5

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

N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 42930049) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID42930049
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(C)C(C)C
InChIInChI=1S/C13H21N3O3/c1-7(2)8(3)14-11(17)6-5-10-9(4)15-13(19)16-12(10)18/h7-8H,5-6H2,1-4H3,(H,14,17)(H2,15,16,18,19)
InChIKeyAGAOBNUIFTXFQF-UHFFFAOYSA-N
XLogP0.46
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide
CID 47062727
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 35355755
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-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide
CID 52511202
N-(3,3-difluoro-2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 103769787
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 55580371
N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 38836509
N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865391
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865434
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide
CID 94798908
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 61004753
N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 115880598

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 42930049) is N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(C)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is AGAOBNUIFTXFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-7(2)8(3)14-11(17)6-5-10-9(4)15-13(19)16-12(10)18/h7-8H,5-6H2,1-4H3,(H,14,17)(H2,15,16,18,19).
What are the key properties of N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 267.33 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 42930049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).