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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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).