N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine

C20H20F3N5O2S — CID 58974692

IUPACN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N5O2S/c1-29-15-9-13(20(21,22)23)8-14(10-15)26-19-24-3-2-17(27-19)18-25-11-16(31-18)12-28-4-6-30-7-5-28/h2-3,8-11H,4-7,12H2,1H3,(H,24,26,27)
InChIKeyGEPNVAJYZKHVPM-UHFFFAOYSA-N
MW451.47 g/mol
LogP4.20
Rot. Bonds6

About N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine

N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (PubChem CID 58974692) has the molecular formula C20H20F3N5O2S and a molecular weight of 451.47 g/mol. Its IUPAC name is N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
PubChem CID58974692
Molecular FormulaC20H20F3N5O2S
Molecular Weight451.47 g/mol
Exact Mass451.13
IUPAC NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N5O2S/c1-29-15-9-13(20(21,22)23)8-14(10-15)26-19-24-3-2-17(27-19)18-25-11-16(31-18)12-28-4-6-30-7-5-28/h2-3,8-11H,4-7,12H2,1H3,(H,24,26,27)
InChIKeyGEPNVAJYZKHVPM-UHFFFAOYSA-N
XLogP4.20
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(2S)-1-[[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
CID 158377725
N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-methyl-5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
CID 58974833
N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
CID 11280419
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[4-methyl-5-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-2-yl]pyrimidin-2-amine
CID 58974774
3-[[4-[5-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;3-[[4-[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;3-[[4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
CID 161235103
4-N-(3-chloro-4-morpholin-4-ylphenyl)-5-fluoro-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 67277131
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
CID 5329427
N-(3,5-dimethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 25169255
4-(furan-2-yl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 14722198
4-[4-(3,5-dimethoxyphenyl)-2-propyl-1,3-thiazol-5-yl]-N-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 58377214
4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine
CID 58974828
methyl 5-methylsulfanyl-2-[2-[3-sulfanyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazole-4-carboxylate
CID 162599401

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (CID 58974692) is N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is COc1cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
The InChIKey is GEPNVAJYZKHVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2S/c1-29-15-9-13(20(21,22)23)8-14(10-15)26-19-24-3-2-17(27-19)18-25-11-16(31-18)12-28-4-6-30-7-5-28/h2-3,8-11H,4-7,12H2,1H3,(H,24,26,27).
What are the key properties of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine has a molecular weight of 451.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 58974692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).