3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea

C21H22N6O2 — CID 67443051

IUPAC3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea
SMILESCc1ccc(NC(=O)N(c2ccccc2)c2ncnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H22N6O2/c1-16-7-9-17(10-8-16)24-21(28)27(18-5-3-2-4-6-18)20-23-15-22-19(25-20)26-11-13-29-14-12-26/h2-10,15H,11-14H2,1H3,(H,24,28)
InChIKeyVBRIRVJGBSKIKL-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.39
Rot. Bonds4

About 3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea

3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea (PubChem CID 67443051) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea
PubChem CID67443051
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea
SMILESCc1ccc(NC(=O)N(c2ccccc2)c2ncnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H22N6O2/c1-16-7-9-17(10-8-16)24-21(28)27(18-5-3-2-4-6-18)20-23-15-22-19(25-20)26-11-13-29-14-12-26/h2-10,15H,11-14H2,1H3,(H,24,28)
InChIKeyVBRIRVJGBSKIKL-UHFFFAOYSA-N
XLogP3.39
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea
CID 67441955
3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea
CID 67444444
3-[4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]phenyl]-1,1-dimethylurea
CID 66586009
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
N-(4-methylphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573865
disodium;5-[(4-methylanilino)-(4-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-methylanilino)-(4-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 139698298
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160
N-(4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886365
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 645138
1-[4-(oxan-4-ylamino)pyrimidin-2-yl]-1-phenyl-3-pyridin-4-ylurea
CID 67616912

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea?
The IUPAC name of 3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea (CID 67443051) is 3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea.
What is the SMILES notation for 3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea?
The canonical SMILES for 3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea is Cc1ccc(NC(=O)N(c2ccccc2)c2ncnc(N3CCOCC3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea?
The InChIKey is VBRIRVJGBSKIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-16-7-9-17(10-8-16)24-21(28)27(18-5-3-2-4-6-18)20-23-15-22-19(25-20)26-11-13-29-14-12-26/h2-10,15H,11-14H2,1H3,(H,24,28).
What are the key properties of 3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea?
3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea has a molecular weight of 390.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea is sourced from PubChem (CID 67443051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).