2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide

C8H12N4O3 — CID 142647678

IUPAC2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide
SMILESNC(=O)C(N)CCn1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H12N4O3/c9-5(7(10)14)2-4-12-6(13)1-3-11-8(12)15/h1,3,5H,2,4,9H2,(H2,10,14)(H,11,15)
InChIKeyAJYHUNGFVOIMCP-UHFFFAOYSA-N
MW212.21 g/mol
LogP-2.26
Rot. Bonds4

About 2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide

2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide (PubChem CID 142647678) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide
PubChem CID142647678
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide
SMILESNC(=O)C(N)CCn1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H12N4O3/c9-5(7(10)14)2-4-12-6(13)1-3-11-8(12)15/h1,3,5H,2,4,9H2,(H2,10,14)(H,11,15)
InChIKeyAJYHUNGFVOIMCP-UHFFFAOYSA-N
XLogP-2.26
TPSA123.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
CID 103603478
3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
CID 87497402
2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 142647674
3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid
CID 54516772
8-(2,4-dioxo-1H-pyrimidin-3-yl)octyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 170125867
3-oct-7-enyl-1H-pyrimidine-2,4-dione
CID 169034521
3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107103922
3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107104039
3-[(2R)-2,4,4-trimethylpentyl]-1H-pyrimidine-2,4-dione
CID 176863765
2-amino-4-(1,3-dihydroisoindol-2-yl)butanamide
CID 63054697
methyl 3-(2,4-dioxo-1H-pyrimidin-3-yl)-2,2-dimethylpropanoate
CID 107103904
3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 107104005

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide?
The IUPAC name of 2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide (CID 142647678) is 2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide.
What is the SMILES notation for 2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide?
The canonical SMILES for 2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide is NC(=O)C(N)CCn1c(=O)cc[nH]c1=O.
What is the InChIKey of 2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide?
The InChIKey is AJYHUNGFVOIMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-5(7(10)14)2-4-12-6(13)1-3-11-8(12)15/h1,3,5H,2,4,9H2,(H2,10,14)(H,11,15).
What are the key properties of 2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide?
2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide has a molecular weight of 212.21 g/mol, XLogP of -2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide is sourced from PubChem (CID 142647678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).