1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea

C23H25FN6O2S — CID 89463486

IUPAC1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2nc(-c3cc(F)ccc3SC)nc(N3CCOCC3C)n2)cc1
InChIInChI=1S/C23H25FN6O2S/c1-14-13-32-11-10-30(14)22-28-20(15-4-7-17(8-5-15)26-23(31)25-2)27-21(29-22)18-12-16(24)6-9-19(18)33-3/h4-9,12,14H,10-11,13H2,1-3H3,(H2,25,26,31)
InChIKeyCCKRISLSSLYENH-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.04
Rot. Bonds5

About 1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea

1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea (PubChem CID 89463486) has the molecular formula C23H25FN6O2S and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea
PubChem CID89463486
Molecular FormulaC23H25FN6O2S
Molecular Weight468.56 g/mol
Exact Mass468.17
IUPAC Name1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2nc(-c3cc(F)ccc3SC)nc(N3CCOCC3C)n2)cc1
InChIInChI=1S/C23H25FN6O2S/c1-14-13-32-11-10-30(14)22-28-20(15-4-7-17(8-5-15)26-23(31)25-2)27-21(29-22)18-12-16(24)6-9-19(18)33-3/h4-9,12,14H,10-11,13H2,1-3H3,(H2,25,26,31)
InChIKeyCCKRISLSSLYENH-UHFFFAOYSA-N
XLogP4.04
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea 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

1-[4-[4-(5-fluoro-2-methylsulfonylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-(2-hydroxyethyl)urea
CID 78103764
1-[4-[4-[(4-fluorophenyl)-sulfanylmethyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]-3-methylurea
CID 87544256
1-[4-[4,6-bis[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]phenyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 66586072
1-methyl-3-[4-[4-(3-methylmorpholin-4-yl)-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 78107134
1-methyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-[pyridin-4-yl(sulfanyl)methyl]pyrimidin-2-yl]phenyl]urea
CID 87544958
N-[4-[[2-[4-(methylcarbamoylamino)phenyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methylsulfanyl]phenyl]acetamide
CID 59380092
1-(2,2-difluorocyclopropyl)-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylphenyl)-1,3,5-triazin-2-yl]phenyl]urea
CID 71539159
1-[4-[6-[(3R)-3-methylmorpholin-4-yl]-4-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 67021648
1-methyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(pyridin-2-ylsulfanylmethyl)pyrimidin-2-yl]phenyl]urea
CID 57427743
1-[4-[6-(5-fluoro-2-methylsulfonylphenyl)-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(3-hydroxypropyl)urea
CID 67382577
1-ethyl-3-[4-[4-[2-(4-fluorophenyl)sulfinylpropan-2-yl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]urea
CID 143633078
2-[[2-[4-(methylcarbamoylamino)phenyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methylsulfonyl]propanamide
CID 68861776

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea (CID 89463486) is 1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea is CNC(=O)Nc1ccc(-c2nc(-c3cc(F)ccc3SC)nc(N3CCOCC3C)n2)cc1.
What is the InChIKey of 1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea?
The InChIKey is CCKRISLSSLYENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2S/c1-14-13-32-11-10-30(14)22-28-20(15-4-7-17(8-5-15)26-23(31)25-2)27-21(29-22)18-12-16(24)6-9-19(18)33-3/h4-9,12,14H,10-11,13H2,1-3H3,(H2,25,26,31).
What are the key properties of 1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea?
1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea has a molecular weight of 468.56 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-fluoro-2-methylsulfanylphenyl)-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]phenyl]-3-methylurea is sourced from PubChem (CID 89463486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).