1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea

C18H20F3N5O3 — CID 122353652

IUPAC1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(CNC(=O)Nc2ccccc2OC(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H20F3N5O3/c1-12-10-13(24-16(23-12)26-6-8-28-9-7-26)11-22-17(27)25-14-4-2-3-5-15(14)29-18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H2,22,25,27)
InChIKeyYVHCSMAFSMOTJZ-UHFFFAOYSA-N
MW411.38 g/mol
LogP2.84
Rot. Bonds5

About 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea

1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea (PubChem CID 122353652) has the molecular formula C18H20F3N5O3 and a molecular weight of 411.38 g/mol. Its IUPAC name is 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
PubChem CID122353652
Molecular FormulaC18H20F3N5O3
Molecular Weight411.38 g/mol
Exact Mass411.15
IUPAC Name1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(CNC(=O)Nc2ccccc2OC(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H20F3N5O3/c1-12-10-13(24-16(23-12)26-6-8-28-9-7-26)11-22-17(27)25-14-4-2-3-5-15(14)29-18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H2,22,25,27)
InChIKeyYVHCSMAFSMOTJZ-UHFFFAOYSA-N
XLogP2.84
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
1-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122352598
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122353945
4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122339942
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122353733
1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967504
1-(4-tert-butylphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 122353897
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967527
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 91967478
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122340812
2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
CID 91967491

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea (CID 122353652) is 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea is Cc1cc(CNC(=O)Nc2ccccc2OC(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The InChIKey is YVHCSMAFSMOTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3/c1-12-10-13(24-16(23-12)26-6-8-28-9-7-26)11-22-17(27)25-14-4-2-3-5-15(14)29-18(19,20)21/h2-5,10H,6-9,11H2,1H3,(H2,22,25,27).
What are the key properties of 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea has a molecular weight of 411.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 122353652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).