1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea

C16H18F3N5O2 — CID 122356200

IUPAC1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H18F3N5O2/c1-9-13(10(2)21-14(20-9)24(3)4)23-15(25)22-11-5-7-12(8-6-11)26-16(17,18)19/h5-8H,1-4H3,(H2,22,23,25)
InChIKeyTVFZRBXWCJPTNN-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.70
Rot. Bonds4

About 1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 122356200) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID122356200
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H18F3N5O2/c1-9-13(10(2)21-14(20-9)24(3)4)23-15(25)22-11-5-7-12(8-6-11)26-16(17,18)19/h5-8H,1-4H3,(H2,22,23,25)
InChIKeyTVFZRBXWCJPTNN-UHFFFAOYSA-N
XLogP3.70
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylphenyl)-3-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]urea
CID 122356425
1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 149204916
1-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122254254
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane
CID 157489209
1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 134284785
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
[1-methyl-4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]imidazol-2-yl] formate
CID 90816637
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122296700
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122297980
1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 46860155

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 122356200) is 1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea is Cc1nc(N(C)C)nc(C)c1NC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is TVFZRBXWCJPTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-9-13(10(2)21-14(20-9)24(3)4)23-15(25)22-11-5-7-12(8-6-11)26-16(17,18)19/h5-8H,1-4H3,(H2,22,23,25).
What are the key properties of 1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 369.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 122356200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).