1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea

C17H22N6O2 — CID 67441955

IUPAC1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)Nc1ccccc1)c1ncnc(N2CCOCC2)n1
InChIInChI=1S/C17H22N6O2/c1-13(2)23(17(24)20-14-6-4-3-5-7-14)16-19-12-18-15(21-16)22-8-10-25-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
InChIKeyOOHYORKNGLOLGK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.16
Rot. Bonds4

About 1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea

1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea (PubChem CID 67441955) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea
PubChem CID67441955
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea
SMILESCC(C)N(C(=O)Nc1ccccc1)c1ncnc(N2CCOCC2)n1
InChIInChI=1S/C17H22N6O2/c1-13(2)23(17(24)20-14-6-4-3-5-7-14)16-19-12-18-15(21-16)22-8-10-25-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,20,24)
InChIKeyOOHYORKNGLOLGK-UHFFFAOYSA-N
XLogP2.16
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea
CID 67443051
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 650940
N-methyl-N-(phenylcarbamoyl)morpholine-4-carboxamide
CID 12876147
1-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
CID 2190720
4-(4-pyridin-2-yl-1,3,5-triazin-2-yl)morpholine
CID 141107060
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300479
3-[4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]phenyl]-1,1-dimethylurea
CID 66586009
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
N-morpholin-4-yl-N-(phenylcarbamoyl)formamide
CID 174345138

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea?
The IUPAC name of 1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea (CID 67441955) is 1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea.
What is the SMILES notation for 1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea?
The canonical SMILES for 1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea is CC(C)N(C(=O)Nc1ccccc1)c1ncnc(N2CCOCC2)n1.
What is the InChIKey of 1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea?
The InChIKey is OOHYORKNGLOLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-13(2)23(17(24)20-14-6-4-3-5-7-14)16-19-12-18-15(21-16)22-8-10-25-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,20,24).
What are the key properties of 1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea?
1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea has a molecular weight of 342.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-3-phenyl-1-propan-2-ylurea is sourced from PubChem (CID 67441955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).