3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea

C20H25N7O3 — CID 67444444

IUPAC3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea
SMILESO=C(NN1CCOCC1)N(c1ccccc1)c1ncnc(N2C3CCC2COC3)n1
InChIInChI=1S/C20H25N7O3/c28-20(24-25-8-10-29-11-9-25)27(15-4-2-1-3-5-15)19-22-14-21-18(23-19)26-16-6-7-17(26)13-30-12-16/h1-5,14,16-17H,6-13H2,(H,24,28)
InChIKeyYWIPYTUFAOTCJL-UHFFFAOYSA-N
MW411.47 g/mol
LogP1.33
Rot. Bonds4

About 3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea

3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea (PubChem CID 67444444) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea.

Molecular Properties

Compound Name3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea
PubChem CID67444444
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC Name3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea
SMILESO=C(NN1CCOCC1)N(c1ccccc1)c1ncnc(N2C3CCC2COC3)n1
InChIInChI=1S/C20H25N7O3/c28-20(24-25-8-10-29-11-9-25)27(15-4-2-1-3-5-15)19-22-14-21-18(23-19)26-16-6-7-17(26)13-30-12-16/h1-5,14,16-17H,6-13H2,(H,24,28)
InChIKeyYWIPYTUFAOTCJL-UHFFFAOYSA-N
XLogP1.33
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea with MolForge

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Launch Full Analysis

Related Compounds

3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea
CID 67443051
1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea
CID 67441955
4-[[4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]carbamoylamino]benzamide
CID 67029069
1-[4-(oxan-4-ylamino)pyrimidin-2-yl]-1-phenyl-3-pyridin-4-ylurea
CID 67616912
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
2-(morpholin-4-ylcarbamoyl)benzoic acid
CID 83004357
1-benzyl-3-morpholin-4-ylurea
CID 107653208
1-morpholin-4-yl-3-phenyl-3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-1-(1,3,5-triazin-2-yl)urea
CID 67442055
1-[4-(methoxymethyl)phenyl]-3-[4-[4-[(3R)-3-methylmorpholin-4-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]urea
CID 67029434
2-(diethylamino)ethyl 4-[[4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]carbamoylamino]benzoate
CID 67029326
4-morpholin-4-yl-6-(4-phenoxypiperidin-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
CID 121350336
N-(morpholin-4-ylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54287493

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea?
The IUPAC name of 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) is 3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea.
What is the SMILES notation for 3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea?
The canonical SMILES for 3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea is O=C(NN1CCOCC1)N(c1ccccc1)c1ncnc(N2C3CCC2COC3)n1.
What is the InChIKey of 3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea?
The InChIKey is YWIPYTUFAOTCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c28-20(24-25-8-10-29-11-9-25)27(15-4-2-1-3-5-15)19-22-14-21-18(23-19)26-16-6-7-17(26)13-30-12-16/h1-5,14,16-17H,6-13H2,(H,24,28).
What are the key properties of 3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea?
3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea has a molecular weight of 411.47 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-[4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]-1-phenylurea is sourced from PubChem (CID 67444444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).