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

C22H19F4N5O2 — CID 69205459

IUPAC1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
SMILESCN(C)C1c2ccoc2N=CN1c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1
InChIInChI=1S/C22H19F4N5O2/c1-30(2)20-16-9-10-33-19(16)27-12-31(20)15-6-4-14(5-7-15)28-21(32)29-18-11-13(22(24,25)26)3-8-17(18)23/h3-12,20H,1-2H3,(H2,28,29,32)
InChIKeyZRVSOFKPSPCLRC-UHFFFAOYSA-N
MW461.42 g/mol
LogP5.82
Rot. Bonds4

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

1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea (PubChem CID 69205459) 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]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
PubChem CID69205459
Molecular FormulaC22H19F4N5O2
Molecular Weight461.42 g/mol
Exact Mass461.15
IUPAC Name1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
SMILESCN(C)C1c2ccoc2N=CN1c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1
InChIInChI=1S/C22H19F4N5O2/c1-30(2)20-16-9-10-33-19(16)27-12-31(20)15-6-4-14(5-7-15)28-21(32)29-18-11-13(22(24,25)26)3-8-17(18)23/h3-12,20H,1-2H3,(H2,28,29,32)
InChIKeyZRVSOFKPSPCLRC-UHFFFAOYSA-N
XLogP5.82
TPSA73.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.42
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69205460
1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea
CID 69208786
1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69205771
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]urea
CID 69206781
1-[4-[6-[2-(dimethylamino)ethylamino]-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69205499
N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 87734593
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000610
5-amino-1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-methylimidazole-4-carboxamide
CID 11532179
(Z)-3-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]prop-2-enamide
CID 78427114
ethyl 4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]benzoate
CID 1298541
3-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]prop-2-enamide
CID 123142884
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea (CID 69205459) is 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[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]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea is CN(C)C1c2ccoc2N=CN1c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1.
What is the InChIKey of 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
The InChIKey is ZRVSOFKPSPCLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N5O2/c1-30(2)20-16-9-10-33-19(16)27-12-31(20)15-6-4-14(5-7-15)28-21(32)29-18-11-13(22(24,25)26)3-8-17(18)23/h3-12,20H,1-2H3,(H2,28,29,32).
What are the key properties of 1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea?
1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea has a molecular weight of 461.42 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 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]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 69205459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).