3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide

C11H18N4O3 — CID 63799905

IUPAC3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1c(=O)c(N)cn(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-7(2)13-9(16)4-5-15-10(17)8(12)6-14(3)11(15)18/h6-7H,4-5,12H2,1-3H3,(H,13,16)
InChIKeyOTPYJKLGVKYOAJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.96
Rot. Bonds4

About 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide

3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 63799905) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide
PubChem CID63799905
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1c(=O)c(N)cn(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-7(2)13-9(16)4-5-15-10(17)8(12)6-14(3)11(15)18/h6-7H,4-5,12H2,1-3H3,(H,13,16)
InChIKeyOTPYJKLGVKYOAJ-UHFFFAOYSA-N
XLogP-0.96
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid
CID 63798858
5-amino-1-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-2,4-dione
CID 63800611
3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide
CID 63800797
2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 63799393
5-amino-1-methyl-3-(2-methylpentyl)pyrimidine-2,4-dione
CID 63799731
2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
CID 63799566
4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid
CID 62861236
methyl 4-amino-1-[3-oxo-3-(propan-2-ylamino)propyl]pyrazole-3-carboxylate
CID 107344412
2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 63801340
3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide
CID 62623411
3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013
5-amino-1-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 103002422

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide (CID 63799905) is 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1c(=O)c(N)cn(C)c1=O.
What is the InChIKey of 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is OTPYJKLGVKYOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7(2)13-9(16)4-5-15-10(17)8(12)6-14(3)11(15)18/h6-7H,4-5,12H2,1-3H3,(H,13,16).
What are the key properties of 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 254.29 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 63799905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).