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

C10H9F3N4S — CID 60966104

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nc(CNc2nccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C10H9F3N4S/c1-6-16-7(5-18-6)4-15-9-14-3-2-8(17-9)10(11,12)13/h2-3,5H,4H2,1H3,(H,14,15,17)
InChIKeyXTVSQOZDQBVRID-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.87
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 60966104) has the molecular formula C10H9F3N4S and a molecular weight of 274.27 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID60966104
Molecular FormulaC10H9F3N4S
Molecular Weight274.27 g/mol
Exact Mass274.05
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nc(CNc2nccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C10H9F3N4S/c1-6-16-7(5-18-6)4-15-9-14-3-2-8(17-9)10(11,12)13/h2-3,5H,4H2,1H3,(H,14,15,17)
InChIKeyXTVSQOZDQBVRID-UHFFFAOYSA-N
XLogP2.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 60966104) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1nc(CNc2nccc(C(F)(F)F)n2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XTVSQOZDQBVRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4S/c1-6-16-7(5-18-6)4-15-9-14-3-2-8(17-9)10(11,12)13/h2-3,5H,4H2,1H3,(H,14,15,17).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 274.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 60966104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).