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

C16H19FN4O3 — CID 122304334

IUPAC1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea
SMILESCCOc1ncc(NC(=O)Nc2ccc(C)c(F)c2)c(OCC)n1
InChIInChI=1S/C16H19FN4O3/c1-4-23-14-13(9-18-16(21-14)24-5-2)20-15(22)19-11-7-6-10(3)12(17)8-11/h6-9H,4-5H2,1-3H3,(H2,19,20,22)
InChIKeySNXQOMWUSWNBIG-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.37
Rot. Bonds6

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

1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea (PubChem CID 122304334) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea
PubChem CID122304334
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea
SMILESCCOc1ncc(NC(=O)Nc2ccc(C)c(F)c2)c(OCC)n1
InChIInChI=1S/C16H19FN4O3/c1-4-23-14-13(9-18-16(21-14)24-5-2)20-15(22)19-11-7-6-10(3)12(17)8-11/h6-9H,4-5H2,1-3H3,(H2,19,20,22)
InChIKeySNXQOMWUSWNBIG-UHFFFAOYSA-N
XLogP3.37
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(2,4-diethoxypyrimidin-5-yl)urea
CID 122304312
1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
CID 122301865
1-(3-fluoro-4-methylphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302650
N-(2,4-diethoxypyrimidin-5-yl)-4-iodobenzamide
CID 122304596
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
CID 43385057
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
N-(2,4-diethoxypyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122304461
N-(2,4-diethoxypyrimidin-5-yl)-4-(dimethylamino)benzamide
CID 122304435
2-(4-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511595
ethyl [4-[(3-fluoro-4-methylphenyl)carbamoylamino]-1-methylimidazol-2-yl] carbonate
CID 67452693
2-(2-ethoxyphenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511443

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea?
The IUPAC name of 1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea (CID 122304334) is 1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea.
What is the SMILES notation for 1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea?
The canonical SMILES for 1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea is CCOc1ncc(NC(=O)Nc2ccc(C)c(F)c2)c(OCC)n1.
What is the InChIKey of 1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea?
The InChIKey is SNXQOMWUSWNBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-4-23-14-13(9-18-16(21-14)24-5-2)20-15(22)19-11-7-6-10(3)12(17)8-11/h6-9H,4-5H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea?
1-(2,4-diethoxypyrimidin-5-yl)-3-(3-fluoro-4-methylphenyl)urea has a molecular weight of 334.35 g/mol, XLogP of 3.37, 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-(3-fluoro-4-methylphenyl)urea is sourced from PubChem (CID 122304334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).