3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide

C10H17N5O3 — CID 113224834

IUPAC3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide
SMILESCn1c(N)c(NCC(C)(C)C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O3/c1-10(2,8(12)17)4-13-5-6(11)15(3)9(18)14-7(5)16/h13H,4,11H2,1-3H3,(H2,12,17)(H,14,16,18)
InChIKeyJXCCYGOYRMCCOO-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.42
Rot. Bonds4

About 3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide

3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide (PubChem CID 113224834) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide
PubChem CID113224834
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide
SMILESCn1c(N)c(NCC(C)(C)C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O3/c1-10(2,8(12)17)4-13-5-6(11)15(3)9(18)14-7(5)16/h13H,4,11H2,1-3H3,(H2,12,17)(H,14,16,18)
InChIKeyJXCCYGOYRMCCOO-UHFFFAOYSA-N
XLogP-1.42
TPSA136.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide (CID 113224834) is 3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide is Cn1c(N)c(NCC(C)(C)C(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is JXCCYGOYRMCCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-10(2,8(12)17)4-13-5-6(11)15(3)9(18)14-7(5)16/h13H,4,11H2,1-3H3,(H2,12,17)(H,14,16,18).
What are the key properties of 3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide?
3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 255.28 g/mol, XLogP of -1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 113224834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).