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
SMILESCOC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=NC=C(S3)CN4CCOCC4)C(F)(F)F
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
MW451.50 g/mol
LogP3.20
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 451.50 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 Weight451.50 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
SMILESCOC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=NC=C(S3)CN4CCOCC4)C(F)(F)F
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
XLogP3.20
TPSA101.00 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms31
Complexity569

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 COC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=NC=C(S3)CN4CCOCC4)C(F)(F)F.
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 451.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 11 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).