3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea

C10H16N4O4 — CID 112601609

IUPAC3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
SMILESCc1c(O)n(CCNC(=O)N(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O4/c1-6-7(15)12-10(18)14(8(6)16)5-4-11-9(17)13(2)3/h16H,4-5H2,1-3H3,(H,11,17)(H,12,15,18)
InChIKeyRGFSJEOOQAQOCF-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.18
Rot. Bonds3

About 3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea

3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea (PubChem CID 112601609) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
PubChem CID112601609
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
SMILESCc1c(O)n(CCNC(=O)N(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O4/c1-6-7(15)12-10(18)14(8(6)16)5-4-11-9(17)13(2)3/h16H,4-5H2,1-3H3,(H,11,17)(H,12,15,18)
InChIKeyRGFSJEOOQAQOCF-UHFFFAOYSA-N
XLogP-1.18
TPSA107.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601607
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide
CID 112599925
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599367
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598583
6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
CID 112599165
1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 83114218
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600003
N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide
CID 66522821
6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione
CID 115948134
1,1-dimethyl-3-[2-(6-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)ethyl]urea
CID 83114545

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea (CID 112601609) is 3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea is Cc1c(O)n(CCNC(=O)N(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea?
The InChIKey is RGFSJEOOQAQOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-6-7(15)12-10(18)14(8(6)16)5-4-11-9(17)13(2)3/h16H,4-5H2,1-3H3,(H,11,17)(H,12,15,18).
What are the key properties of 3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea?
3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea has a molecular weight of 256.26 g/mol, XLogP of -1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 112601609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).