N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

C12H20N4O3 — CID 119608805

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(C)C(C)(CN)NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O3/c1-8(2)12(3,7-13)15-10(18)6-16-5-4-9(17)14-11(16)19/h4-5,8H,6-7,13H2,1-3H3,(H,15,18)(H,14,17,19)
InChIKeyPUHDDJSBGZVASC-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.97
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 119608805) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID119608805
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(C)C(C)(CN)NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O3/c1-8(2)12(3,7-13)15-10(18)6-16-5-4-9(17)14-11(16)19/h4-5,8H,6-7,13H2,1-3H3,(H,15,18)(H,14,17,19)
InChIKeyPUHDDJSBGZVASC-UHFFFAOYSA-N
XLogP-0.97
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 119608805) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is CC(C)C(C)(CN)NC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is PUHDDJSBGZVASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(2)12(3,7-13)15-10(18)6-16-5-4-9(17)14-11(16)19/h4-5,8H,6-7,13H2,1-3H3,(H,15,18)(H,14,17,19).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 119608805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).