1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea

C20H20FN5O3 — CID 155554018

IUPAC1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea
SMILESCOc1cc(NC(=O)Nc2cc(Nc3cc(C)cc(F)c3)ncn2)cc(OC)c1
InChIInChI=1S/C20H20FN5O3/c1-12-4-13(21)6-14(5-12)24-18-10-19(23-11-22-18)26-20(27)25-15-7-16(28-2)9-17(8-15)29-3/h4-11H,1-3H3,(H3,22,23,24,25,26,27)
InChIKeyWLRLBZXKQVGMLY-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.33
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea

1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea (PubChem CID 155554018) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea
PubChem CID155554018
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea
SMILESCOc1cc(NC(=O)Nc2cc(Nc3cc(C)cc(F)c3)ncn2)cc(OC)c1
InChIInChI=1S/C20H20FN5O3/c1-12-4-13(21)6-14(5-12)24-18-10-19(23-11-22-18)26-20(27)25-15-7-16(28-2)9-17(8-15)29-3/h4-11H,1-3H3,(H3,22,23,24,25,26,27)
InChIKeyWLRLBZXKQVGMLY-UHFFFAOYSA-N
XLogP4.33
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(3,5-dimethylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865267
4-N-(3,5-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865264
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869537
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
1-(3-fluorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316253
6-N-(3,5-dimethoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282022
5-bromo-N-(3-fluoro-5-methoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 114262908
1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea
CID 100666210
3-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193145
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea (CID 155554018) is 1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea is COc1cc(NC(=O)Nc2cc(Nc3cc(C)cc(F)c3)ncn2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea?
The InChIKey is WLRLBZXKQVGMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-12-4-13(21)6-14(5-12)24-18-10-19(23-11-22-18)26-20(27)25-15-7-16(28-2)9-17(8-15)29-3/h4-11H,1-3H3,(H3,22,23,24,25,26,27).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea?
1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea has a molecular weight of 397.41 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[6-(3-fluoro-5-methylanilino)pyrimidin-4-yl]urea is sourced from PubChem (CID 155554018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).