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

C11H11F3N4S — CID 72880410

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nc(CN(C)c2nccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C11H11F3N4S/c1-7-16-8(6-19-7)5-18(2)10-15-4-3-9(17-10)11(12,13)14/h3-4,6H,5H2,1-2H3
InChIKeyZHGAEUYJXFLPOP-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.90
Rot. Bonds3

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

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 72880410) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID72880410
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nc(CN(C)c2nccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C11H11F3N4S/c1-7-16-8(6-19-7)5-18(2)10-15-4-3-9(17-10)11(12,13)14/h3-4,6H,5H2,1-2H3
InChIKeyZHGAEUYJXFLPOP-UHFFFAOYSA-N
XLogP2.90
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 72880410) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1nc(CN(C)c2nccc(C(F)(F)F)n2)cs1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZHGAEUYJXFLPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-7-16-8(6-19-7)5-18(2)10-15-4-3-9(17-10)11(12,13)14/h3-4,6H,5H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 288.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 72880410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).