2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide

C19H20F2N6O — CID 11552773

IUPAC2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cc1F
InChIInChI=1S/C19H20F2N6O/c1-10(2)27-11(3)23-9-16(27)17-15(21)8-24-19(26-17)25-12-5-6-13(14(20)7-12)18(28)22-4/h5-10H,1-4H3,(H,22,28)(H,24,25,26)
InChIKeyBRONSWAIUFMLPD-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.61
Rot. Bonds5

About 2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide

2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide (PubChem CID 11552773) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide
PubChem CID11552773
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cc1F
InChIInChI=1S/C19H20F2N6O/c1-10(2)27-11(3)23-9-16(27)17-15(21)8-24-19(26-17)25-12-5-6-13(14(20)7-12)18(28)22-4/h5-10H,1-4H3,(H,22,28)(H,24,25,26)
InChIKeyBRONSWAIUFMLPD-UHFFFAOYSA-N
XLogP3.61
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Nilotinib
CID 644241
Defactinib
CID 25117126
Radotinib
CID 16063245
Ck-2127107
CID 67454400
Nilotinib Hydrochloride Anhydrous
CID 16006490
2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 11675054
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
Purfalcamine
CID 24762166
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i
CID 6539313
Takeda103A
CID 11155477
(R)-5-(2-(2-aminopyrimidin-5-yl)ethynyl)-N-(2-(3-(dimethylamino)pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)-2-fluorobenzamide
CID 11642023
(S)-5-(2-(2-aminopyrimidin-5-yl)ethynyl)-N-(2-(3-(dimethylamino)pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)-2-fluorobenzamide
CID 16109037

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide (CID 11552773) is 2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide is CNC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cc1F.
What is the InChIKey of 2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide?
The InChIKey is BRONSWAIUFMLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-10(2)27-11(3)23-9-16(27)17-15(21)8-24-19(26-17)25-12-5-6-13(14(20)7-12)18(28)22-4/h5-10H,1-4H3,(H,22,28)(H,24,25,26).
What are the key properties of 2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide?
2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide has a molecular weight of 386.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 11552773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).