2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide

C10H17N5O3 — CID 104925721

IUPAC2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O3/c1-4-14(2)6(16)5-12-7-8(11)15(3)10(18)13-9(7)17/h12H,4-5,11H2,1-3H3,(H,13,17,18)
InChIKeySHXDJSBAVNYVKD-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.45
Rot. Bonds4

About 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide

2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide (PubChem CID 104925721) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide
PubChem CID104925721
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O3/c1-4-14(2)6(16)5-12-7-8(11)15(3)10(18)13-9(7)17/h12H,4-5,11H2,1-3H3,(H,13,17,18)
InChIKeySHXDJSBAVNYVKD-UHFFFAOYSA-N
XLogP-1.45
TPSA113.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide
CID 60667095
4-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]butanamide
CID 54933396
3-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-2,2-dimethylpropanamide
CID 113224834
6-amino-5-[(2-hydroxy-2-methylpentyl)amino]-1-methylpyrimidine-2,4-dione
CID 113234750
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174
6-amino-5-(6-hydroxyhexylamino)-1-methylpyrimidine-2,4-dione
CID 103918166
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
CID 4133025
6-amino-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-methylpyrimidine-2,4-dione
CID 113244340
6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione
CID 115887019
6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione
CID 102699143
6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione
CID 115579965
6-amino-1-methyl-5-(2-pyrazol-1-ylethylamino)pyrimidine-2,4-dione
CID 61067211

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide (CID 104925721) is 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is SHXDJSBAVNYVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-4-14(2)6(16)5-12-7-8(11)15(3)10(18)13-9(7)17/h12H,4-5,11H2,1-3H3,(H,13,17,18).
What are the key properties of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide?
2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 255.28 g/mol, XLogP of -1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104925721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).