1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea

C16H20N4O3 — CID 71807618

IUPAC1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea
SMILESCCOc1ncc(NC(=O)Nc2ccccc2C)c(OCC)n1
InChIInChI=1S/C16H20N4O3/c1-4-22-14-13(10-17-16(20-14)23-5-2)19-15(21)18-12-9-7-6-8-11(12)3/h6-10H,4-5H2,1-3H3,(H2,18,19,21)
InChIKeyBFHBQRGVFXDECX-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.23
Rot. Bonds6

About 1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea

1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea (PubChem CID 71807618) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea
PubChem CID71807618
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea
SMILESCCOc1ncc(NC(=O)Nc2ccccc2C)c(OCC)n1
InChIInChI=1S/C16H20N4O3/c1-4-22-14-13(10-17-16(20-14)23-5-2)19-15(21)18-12-9-7-6-8-11(12)3/h6-10H,4-5H2,1-3H3,(H2,18,19,21)
InChIKeyBFHBQRGVFXDECX-UHFFFAOYSA-N
XLogP3.23
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-diethoxypyrimidin-5-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 122304590
N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide
CID 122304252
1-(3-chloro-4-methylphenyl)-3-(2,4-diethoxypyrimidin-5-yl)urea
CID 122304312
1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea
CID 122304334
N-(2,4-diethoxypyrimidin-5-yl)-2-ethylbutanamide
CID 122304247
N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304411
N-(2,4-diethoxypyrimidin-5-yl)-2-phenoxypropanamide
CID 122304288
N-(2,4-diethoxypyrimidin-5-yl)-4-phenylbutanamide
CID 122304278
N-(2,4-diethoxypyrimidin-5-yl)-4-iodobenzamide
CID 122304596
N-(2,4-diethoxypyrimidin-5-yl)furan-2-carboxamide
CID 71807610
3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide
CID 122304593
N-(2,4-diethoxypyrimidin-5-yl)cyclobutanecarboxamide
CID 122304432

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea (CID 71807618) is 1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea is CCOc1ncc(NC(=O)Nc2ccccc2C)c(OCC)n1.
What is the InChIKey of 1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea?
The InChIKey is BFHBQRGVFXDECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-4-22-14-13(10-17-16(20-14)23-5-2)19-15(21)18-12-9-7-6-8-11(12)3/h6-10H,4-5H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea?
1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea has a molecular weight of 316.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethoxypyrimidin-5-yl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 71807618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).