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

C9H14N4O3 — CID 63799393

IUPAC2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(=O)c(N)cn(C)c1=O
InChIInChI=1S/C9H14N4O3/c1-11(2)7(14)5-13-8(15)6(10)4-12(3)9(13)16/h4H,5,10H2,1-3H3
InChIKeyUVFPEVFPNWUYSK-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.78
Rot. Bonds2

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

2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide (PubChem CID 63799393) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide
PubChem CID63799393
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(=O)c(N)cn(C)c1=O
InChIInChI=1S/C9H14N4O3/c1-11(2)7(14)5-13-8(15)6(10)4-12(3)9(13)16/h4H,5,10H2,1-3H3
InChIKeyUVFPEVFPNWUYSK-UHFFFAOYSA-N
XLogP-1.78
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide (CID 63799393) is 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(=O)c(N)cn(C)c1=O.
What is the InChIKey of 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide?
The InChIKey is UVFPEVFPNWUYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-11(2)7(14)5-13-8(15)6(10)4-12(3)9(13)16/h4H,5,10H2,1-3H3.
What are the key properties of 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide?
2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide has a molecular weight of 226.24 g/mol, XLogP of -1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methyl-2,6-dioxopyrimidin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 63799393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).