1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea

C9H14N4O — CID 3061666

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea
SMILESCCNC(=O)Nc1cc(C)nc(C)n1
InChIInChI=1S/C9H14N4O/c1-4-10-9(14)13-8-5-6(2)11-7(3)12-8/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyCYOYPYKRUFDOOC-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.23
Rot. Bonds2

About 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea

1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea (PubChem CID 3061666) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea
PubChem CID3061666
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea
SMILESCCNC(=O)Nc1cc(C)nc(C)n1
InChIInChI=1S/C9H14N4O/c1-4-10-9(14)13-8-5-6(2)11-7(3)12-8/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyCYOYPYKRUFDOOC-UHFFFAOYSA-N
XLogP1.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,6-dimethylpyrimidin-4-yl)amino]-5-oxopentanoate
CID 6969751
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
methyl 2-[(2,6-dimethylpyrimidin-4-yl)carbamoylsulfamoyl]benzoate
CID 13176760
1-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-methylphenyl)urea
CID 121074944
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427722
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026
1-(6-bromo-8-methylisoquinolin-3-yl)-3-ethylurea
CID 67449451
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 60964745
1-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082538
(2,6-dimethylpyrimidin-4-yl)hydrazine
CID 736395
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
1-ethyl-3-[5-(ethylamino)-8-methylisoquinolin-3-yl]urea
CID 67448411

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea (CID 3061666) is 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea is CCNC(=O)Nc1cc(C)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea?
The InChIKey is CYOYPYKRUFDOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-4-10-9(14)13-8-5-6(2)11-7(3)12-8/h5H,4H2,1-3H3,(H2,10,11,12,13,14).
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea?
1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea has a molecular weight of 194.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylurea is sourced from PubChem (CID 3061666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).