[4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone

C23H21F3N4O3 — CID 59983055

IUPAC[4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CCOCC2)cc1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
InChIInChI=1S/C23H21F3N4O3/c1-15-2-3-16(22(31)30-8-10-32-11-9-30)12-19(15)20-13-21(28-14-27-20)29-17-4-6-18(7-5-17)33-23(24,25)26/h2-7,12-14H,8-11H2,1H3,(H,27,28,29)
InChIKeyLLBBMJZQSACMJA-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.57
Rot. Bonds5

About [4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone

[4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 59983055) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is [4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID59983055
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name[4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CCOCC2)cc1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1
InChIInChI=1S/C23H21F3N4O3/c1-15-2-3-16(22(31)30-8-10-32-11-9-30)12-19(15)20-13-21(28-14-27-20)29-17-4-6-18(7-5-17)33-23(24,25)26/h2-7,12-14H,8-11H2,1H3,(H,27,28,29)
InChIKeyLLBBMJZQSACMJA-UHFFFAOYSA-N
XLogP4.57
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sonidegib
CID 24775005
Gnf-2
CID 5311510
N-(2-hydroxyethyl)-3-(6-((4-(trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)benzamide
CID 44129660
Kinase inhibitor, 5
CID 71463554
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
Pyridinyl pyrimidine 40
CID 11655925
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(4-(1-methylpiperidin-4-yloxy)phenyl)benzamide
CID 16086101
[3-Methoxy-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58539094
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76321453
3-fluoro-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 77108401
Mnk/pim-IN-1
CID 150237192

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone (CID 59983055) is [4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone is Cc1ccc(C(=O)N2CCOCC2)cc1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1.
What is the InChIKey of [4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is LLBBMJZQSACMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-15-2-3-16(22(31)30-8-10-32-11-9-30)12-19(15)20-13-21(28-14-27-20)29-17-4-6-18(7-5-17)33-23(24,25)26/h2-7,12-14H,8-11H2,1H3,(H,27,28,29).
What are the key properties of [4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone?
[4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 458.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59983055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).