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

C12H13F3N4OS — CID 133485067

IUPAC6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine
SMILESCCOc1cc(N(C)Cc2nc(C(F)(F)F)cs2)ncn1
InChIInChI=1S/C12H13F3N4OS/c1-3-20-10-4-9(16-7-17-10)19(2)5-11-18-8(6-21-11)12(13,14)15/h4,6-7H,3,5H2,1-2H3
InChIKeyMOVLELVKYQJSPF-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.99
Rot. Bonds5

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

6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine (PubChem CID 133485067) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine
PubChem CID133485067
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine
SMILESCCOc1cc(N(C)Cc2nc(C(F)(F)F)cs2)ncn1
InChIInChI=1S/C12H13F3N4OS/c1-3-20-10-4-9(16-7-17-10)19(2)5-11-18-8(6-21-11)12(13,14)15/h4,6-7H,3,5H2,1-2H3
InChIKeyMOVLELVKYQJSPF-UHFFFAOYSA-N
XLogP2.99
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 133464216
N,6-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyridin-2-amine
CID 133483771
N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine
CID 133403744
3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol
CID 75510074
N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 66317906
6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 133484675
4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 75524467
N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
CID 71984699
2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 119813025
3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813026
4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 120563759
N-(2-bromocyclohexyl)-6-ethoxy-N-methylpyrimidin-4-amine
CID 102637637

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine (CID 133485067) is 6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine is CCOc1cc(N(C)Cc2nc(C(F)(F)F)cs2)ncn1.
What is the InChIKey of 6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is MOVLELVKYQJSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-3-20-10-4-9(16-7-17-10)19(2)5-11-18-8(6-21-11)12(13,14)15/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine?
6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 318.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133485067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).