1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea

C16H18F3N5O2 — CID 122353945

IUPAC1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(CNC(=O)Nc2ccccc2OC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C16H18F3N5O2/c1-10-8-11(22-14(21-10)24(2)3)9-20-15(25)23-12-6-4-5-7-13(12)26-16(17,18)19/h4-8H,9H2,1-3H3,(H2,20,23,25)
InChIKeyWRFCNJUSNJYZGC-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.07
Rot. Bonds5

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

1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea (PubChem CID 122353945) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
PubChem CID122353945
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(CNC(=O)Nc2ccccc2OC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C16H18F3N5O2/c1-10-8-11(22-14(21-10)24(2)3)9-20-15(25)23-12-6-4-5-7-13(12)26-16(17,18)19/h4-8H,9H2,1-3H3,(H2,20,23,25)
InChIKeyWRFCNJUSNJYZGC-UHFFFAOYSA-N
XLogP3.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122354189
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122353652
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
1-[(5-fluoro-2-methylphenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3594769
1-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122293561
1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 52595761
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
CID 72718411
1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3859950
1-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122352598
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 4995803
1-[(1R)-1-(2,3-difluorophenyl)ethyl]-3-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]urea
CID 99833323

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea (CID 122353945) is 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea is Cc1cc(CNC(=O)Nc2ccccc2OC(F)(F)F)nc(N(C)C)n1.
What is the InChIKey of 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The InChIKey is WRFCNJUSNJYZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-10-8-11(22-14(21-10)24(2)3)9-20-15(25)23-12-6-4-5-7-13(12)26-16(17,18)19/h4-8H,9H2,1-3H3,(H2,20,23,25).
What are the key properties of 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea?
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea has a molecular weight of 369.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 122353945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).