N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine

C9H7F3N4S — CID 62197294

IUPACN-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2cscn2)n1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)7-1-2-13-8(16-7)14-3-6-4-17-5-15-6/h1-2,4-5H,3H2,(H,13,14,16)
InChIKeyUPFZYVHCJJUDNF-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.56
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 62197294) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID62197294
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2cscn2)n1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)7-1-2-13-8(16-7)14-3-6-4-17-5-15-6/h1-2,4-5H,3H2,(H,13,14,16)
InChIKeyUPFZYVHCJJUDNF-UHFFFAOYSA-N
XLogP2.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 62197294) is N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCc2cscn2)n1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UPFZYVHCJJUDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c10-9(11,12)7-1-2-13-8(16-7)14-3-6-4-17-5-15-6/h1-2,4-5H,3H2,(H,13,14,16).
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 260.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 62197294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).