N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine

C12H13F3N4OS — CID 138050716

IUPACN-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nscc1CN(C)c1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N4OS/c1-7-4-9(12(13,14)15)17-11(16-7)19(2)5-8-6-21-18-10(8)20-3/h4,6H,5H2,1-3H3
InChIKeyKZYZKUYJQGXACO-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.91
Rot. Bonds4

About N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine

N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 138050716) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID138050716
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC NameN-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nscc1CN(C)c1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N4OS/c1-7-4-9(12(13,14)15)17-11(16-7)19(2)5-8-6-21-18-10(8)20-3/h4,6H,5H2,1-3H3
InChIKeyKZYZKUYJQGXACO-UHFFFAOYSA-N
XLogP2.91
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)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-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 138050716) is N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine is COc1nscc1CN(C)c1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KZYZKUYJQGXACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-7-4-9(12(13,14)15)17-11(16-7)19(2)5-8-6-21-18-10(8)20-3/h4,6H,5H2,1-3H3.
What are the key properties of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 318.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,4-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 138050716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).