1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea

C22H19F4N5O2 — CID 69205460

IUPAC1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
SMILESCN(C)C1c2ccoc2N=CN1c1ccc(N(C(N)=O)c2cc(C(F)(F)F)ccc2F)cc1
InChIInChI=1S/C22H19F4N5O2/c1-29(2)20-16-9-10-33-19(16)28-12-30(20)14-4-6-15(7-5-14)31(21(27)32)18-11-13(22(24,25)26)3-8-17(18)23/h3-12,20H,1-2H3,(H2,27,32)
InChIKeyXZZPILQFFWJZNN-UHFFFAOYSA-N
MW461.42 g/mol
LogP5.39
Rot. Bonds4

About 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea

1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea (PubChem CID 69205460) has the molecular formula C22H19F4N5O2 and a molecular weight of 461.42 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
PubChem CID69205460
Molecular FormulaC22H19F4N5O2
Molecular Weight461.42 g/mol
Exact Mass461.15
IUPAC Name1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
SMILESCN(C)C1c2ccoc2N=CN1c1ccc(N(C(N)=O)c2cc(C(F)(F)F)ccc2F)cc1
InChIInChI=1S/C22H19F4N5O2/c1-29(2)20-16-9-10-33-19(16)28-12-30(20)14-4-6-15(7-5-14)31(21(27)32)18-11-13(22(24,25)26)3-8-17(18)23/h3-12,20H,1-2H3,(H2,27,32)
InChIKeyXZZPILQFFWJZNN-UHFFFAOYSA-N
XLogP5.39
TPSA78.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.42
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69205459
1-[4-[4-amino-6-(3-methylsulfinylpropylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 90992788
1-[4-[6-[2-(dimethylamino)ethylamino]-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 91598036
1-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[4-(6-methylsulfonyl-2H-furo[2,3-d]pyrimidin-3-yl)phenyl]urea
CID 69207082
1-[4-[2-(4,6-diaminopyrimidin-5-yl)ethynyl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 174501306
1-[4-[4-amino-6-(hydroxymethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69403286
1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea
CID 69208786
1-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[4-[6-[(2,4,6-trimethoxyphenyl)methylamino]-2H-furo[2,3-d]pyrimidin-3-yl]phenyl]urea
CID 69209259
1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
CID 174915783
1-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[4-[[2-(methanesulfonamido)-3H-benzimidazol-5-yl]oxy]phenyl]urea
CID 69412974
methanesulfonic acid;methyl N-[6-[4-[N-carbamoyl-2-fluoro-5-(trifluoromethyl)anilino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 87824805
1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea
CID 91533707

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea (CID 69205460) is 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea is CN(C)C1c2ccoc2N=CN1c1ccc(N(C(N)=O)c2cc(C(F)(F)F)ccc2F)cc1.
What is the InChIKey of 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
The InChIKey is XZZPILQFFWJZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N5O2/c1-29(2)20-16-9-10-33-19(16)28-12-30(20)14-4-6-15(7-5-14)31(21(27)32)18-11-13(22(24,25)26)3-8-17(18)23/h3-12,20H,1-2H3,(H2,27,32).
What are the key properties of 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea has a molecular weight of 461.42 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 69205460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).