1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea

C19H17FN4O4 — CID 122303190

IUPAC1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
SMILESCOc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1OC
InChIInChI=1S/C19H17FN4O4/c1-26-16-8-7-12(9-17(16)27-2)23-18(25)24-13-10-21-19(22-11-13)28-15-6-4-3-5-14(15)20/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyNFZSZVQCYNGENC-UHFFFAOYSA-N
MW384.37 g/mol
LogP4.07
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea

1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea (PubChem CID 122303190) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
PubChem CID122303190
Molecular FormulaC19H17FN4O4
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
SMILESCOc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1OC
InChIInChI=1S/C19H17FN4O4/c1-26-16-8-7-12(9-17(16)27-2)23-18(25)24-13-10-21-19(22-11-13)28-15-6-4-3-5-14(15)20/h3-11H,1-2H3,(H2,23,24,25)
InChIKeyNFZSZVQCYNGENC-UHFFFAOYSA-N
XLogP4.07
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122302932
1-(4-tert-butylphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303193
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122302986
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide
CID 91968386
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
CID 122303080
4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 122303112
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200253
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 122302992
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122302958

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea (CID 122303190) is 1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea is COc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea?
The InChIKey is NFZSZVQCYNGENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4/c1-26-16-8-7-12(9-17(16)27-2)23-18(25)24-13-10-21-19(22-11-13)28-15-6-4-3-5-14(15)20/h3-11H,1-2H3,(H2,23,24,25).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea?
1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea has a molecular weight of 384.37 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea is sourced from PubChem (CID 122303190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).