2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide

C12H20N4O4 — CID 63798879

IUPAC2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCn1cc(N)c(=O)n(CC(=O)NC(C)COC)c1=O
InChIInChI=1S/C12H20N4O4/c1-4-15-5-9(13)11(18)16(12(15)19)6-10(17)14-8(2)7-20-3/h5,8H,4,6-7,13H2,1-3H3,(H,14,17)
InChIKeyIIZFTBYAMIIWPE-UHFFFAOYSA-N
MW284.32 g/mol
LogP-1.24
Rot. Bonds6

About 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide

2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 63798879) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID63798879
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCn1cc(N)c(=O)n(CC(=O)NC(C)COC)c1=O
InChIInChI=1S/C12H20N4O4/c1-4-15-5-9(13)11(18)16(12(15)19)6-10(17)14-8(2)7-20-3/h5,8H,4,6-7,13H2,1-3H3,(H,14,17)
InChIKeyIIZFTBYAMIIWPE-UHFFFAOYSA-N
XLogP-1.24
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63800107
2-(5-amino-2,6-dioxo-3-propylpyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 63801340
ethyl 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)acetate
CID 63800101
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
CID 55239566
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 18161005
2-[3-(3-aminopropyl)-2,4-dioxopyrimidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 106933743
3-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-ethylpropanamide
CID 63800797
N-[(2R)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277697
methyl 4-amino-1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344614
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-(1-methoxypropan-2-yl)acetamide
CID 46799043
N-(1-methoxypropan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51174931
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 114584421

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 63798879) is 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is CCn1cc(N)c(=O)n(CC(=O)NC(C)COC)c1=O.
What is the InChIKey of 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is IIZFTBYAMIIWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-4-15-5-9(13)11(18)16(12(15)19)6-10(17)14-8(2)7-20-3/h5,8H,4,6-7,13H2,1-3H3,(H,14,17).
What are the key properties of 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 284.32 g/mol, XLogP of -1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 63798879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).