1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea

C24H28N6O2 — CID 141367165

IUPAC1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
SMILESCCCCc1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H28N6O2/c1-2-3-9-21-27-22(29-23(28-21)30-14-16-32-17-15-30)18-10-12-20(13-11-18)26-24(31)25-19-7-5-4-6-8-19/h4-8,10-13H,2-3,9,14-17H2,1H3,(H2,25,26,31)
InChIKeyYJMWKLOAKQKMGG-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.36
Rot. Bonds7

About 1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea

1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea (PubChem CID 141367165) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
PubChem CID141367165
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
SMILESCCCCc1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H28N6O2/c1-2-3-9-21-27-22(29-23(28-21)30-14-16-32-17-15-30)18-10-12-20(13-11-18)26-24(31)25-19-7-5-4-6-8-19/h4-8,10-13H,2-3,9,14-17H2,1H3,(H2,25,26,31)
InChIKeyYJMWKLOAKQKMGG-UHFFFAOYSA-N
XLogP4.36
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-[[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-[2-(dimethylamino)ethyl]benzamide
CID 66585863
4-[[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-[4-[2-(dimethylamino)ethoxy]phenyl]benzamide
CID 66585819
1-[4-[4-morpholin-4-yl-6-(3-oxopropyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 87059834
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
1-[4-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 66585697
1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 66585720
1-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-3-[4-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
CID 66585548
3-[4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]phenyl]-1,1-dimethylurea
CID 66586009
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[4-(4-propylpiperazine-1-carbonyl)phenyl]urea
CID 166167929
4-[[4-[4-[4-(methylcarbamoylamino)phenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]carbamoylamino]benzamide
CID 66585526
4-[[4-(4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(1-methylazetidin-3-yl)benzamide
CID 66585608
4-(4-ethyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 141367198

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea (CID 141367165) is 1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea is CCCCc1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea?
The InChIKey is YJMWKLOAKQKMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-2-3-9-21-27-22(29-23(28-21)30-14-16-32-17-15-30)18-10-12-20(13-11-18)26-24(31)25-19-7-5-4-6-8-19/h4-8,10-13H,2-3,9,14-17H2,1H3,(H2,25,26,31).
What are the key properties of 1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea?
1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea has a molecular weight of 432.53 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 141367165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).