1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea

C13H17N5O2 — CID 126820453

IUPAC1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCCc1cnc(CNC(=O)Nc2nc(C)ncc2C)o1
InChIInChI=1S/C13H17N5O2/c1-4-10-6-15-11(20-10)7-16-13(19)18-12-8(2)5-14-9(3)17-12/h5-6H,4,7H2,1-3H3,(H2,14,16,17,18,19)
InChIKeyJAIURDKHGPTJLI-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.97
Rot. Bonds4

About 1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea

1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 126820453) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID126820453
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCCc1cnc(CNC(=O)Nc2nc(C)ncc2C)o1
InChIInChI=1S/C13H17N5O2/c1-4-10-6-15-11(20-10)7-16-13(19)18-12-8(2)5-14-9(3)17-12/h5-6H,4,7H2,1-3H3,(H2,14,16,17,18,19)
InChIKeyJAIURDKHGPTJLI-UHFFFAOYSA-N
XLogP1.97
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
CID 106373291
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 154839750
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]benzoic acid
CID 106373959
3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106374332
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
CID 106368562
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
(2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 106374056
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106377749
5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114180836
2-(4-aminopyrazol-1-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 114179908

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea (CID 126820453) is 1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea is CCc1cnc(CNC(=O)Nc2nc(C)ncc2C)o1.
What is the InChIKey of 1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is JAIURDKHGPTJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-4-10-6-15-11(20-10)7-16-13(19)18-12-8(2)5-14-9(3)17-12/h5-6H,4,7H2,1-3H3,(H2,14,16,17,18,19).
What are the key properties of 1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea?
1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 275.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrimidin-4-yl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 126820453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).