1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea

C16H18F2N6O3 — CID 122253781

IUPAC1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea
SMILESCOc1nc(CNC(=O)Nc2ccc(F)c(F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H18F2N6O3/c1-26-16-22-13(21-14(23-16)24-4-6-27-7-5-24)9-19-15(25)20-10-2-3-11(17)12(18)8-10/h2-3,8H,4-7,9H2,1H3,(H2,19,20,25)
InChIKeyDKKXMODIWNLYCT-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.32
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea

1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea (PubChem CID 122253781) has the molecular formula C16H18F2N6O3 and a molecular weight of 380.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea
PubChem CID122253781
Molecular FormulaC16H18F2N6O3
Molecular Weight380.36 g/mol
Exact Mass380.14
IUPAC Name1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea
SMILESCOc1nc(CNC(=O)Nc2ccc(F)c(F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H18F2N6O3/c1-26-16-22-13(21-14(23-16)24-4-6-27-7-5-24)9-19-15(25)20-10-2-3-11(17)12(18)8-10/h2-3,8H,4-7,9H2,1H3,(H2,19,20,25)
InChIKeyDKKXMODIWNLYCT-UHFFFAOYSA-N
XLogP1.32
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea with MolForge

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Related Compounds

1-(3-chlorophenyl)-3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]urea
CID 122253439
1-(3,4-difluorophenyl)-3-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]urea
CID 122254255
3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253694
5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253859
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide
CID 122253832
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122253828
4-ethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253693
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122253835
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide
CID 121137782
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122253837
1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea
CID 122254787
1-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-3-(4-ethylphenyl)urea
CID 122254744

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea (CID 122253781) is 1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea is COc1nc(CNC(=O)Nc2ccc(F)c(F)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea?
The InChIKey is DKKXMODIWNLYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O3/c1-26-16-22-13(21-14(23-16)24-4-6-27-7-5-24)9-19-15(25)20-10-2-3-11(17)12(18)8-10/h2-3,8H,4-7,9H2,1H3,(H2,19,20,25).
What are the key properties of 1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea?
1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea has a molecular weight of 380.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea is sourced from PubChem (CID 122253781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).