N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine

C13H15F3N4S — CID 106784414

IUPACN-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
SMILESCCNc1ncnc(-c2cnc(C(F)(F)F)s2)c1C(C)C
InChIInChI=1S/C13H15F3N4S/c1-4-17-11-9(7(2)3)10(19-6-20-11)8-5-18-12(21-8)13(14,15)16/h5-7H,4H2,1-3H3,(H,17,19,20)
InChIKeyVJUSRTCDLMFPEM-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.17
Rot. Bonds4

About N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine

N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine (PubChem CID 106784414) has the molecular formula C13H15F3N4S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
PubChem CID106784414
Molecular FormulaC13H15F3N4S
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC NameN-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
SMILESCCNc1ncnc(-c2cnc(C(F)(F)F)s2)c1C(C)C
InChIInChI=1S/C13H15F3N4S/c1-4-17-11-9(7(2)3)10(19-6-20-11)8-5-18-12(21-8)13(14,15)16/h5-7H,4H2,1-3H3,(H,17,19,20)
InChIKeyVJUSRTCDLMFPEM-UHFFFAOYSA-N
XLogP4.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine (CID 106784414) is N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine is CCNc1ncnc(-c2cnc(C(F)(F)F)s2)c1C(C)C.
What is the InChIKey of N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
The InChIKey is VJUSRTCDLMFPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4S/c1-4-17-11-9(7(2)3)10(19-6-20-11)8-5-18-12(21-8)13(14,15)16/h5-7H,4H2,1-3H3,(H,17,19,20).
What are the key properties of N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine has a molecular weight of 316.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 106784414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).