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

C11H11F3N4S — CID 106784387

IUPACN-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
SMILESCCCNc1cc(-c2cnc(C(F)(F)F)s2)ncn1
InChIInChI=1S/C11H11F3N4S/c1-2-3-15-9-4-7(17-6-18-9)8-5-16-10(19-8)11(12,13)14/h4-6H,2-3H2,1H3,(H,15,17,18)
InChIKeyKUXLYYRSXSBUKN-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.44
Rot. Bonds4

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

N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine (PubChem CID 106784387) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
PubChem CID106784387
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC NameN-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
SMILESCCCNc1cc(-c2cnc(C(F)(F)F)s2)ncn1
InChIInChI=1S/C11H11F3N4S/c1-2-3-15-9-4-7(17-6-18-9)8-5-16-10(19-8)11(12,13)14/h4-6H,2-3H2,1H3,(H,15,17,18)
InChIKeyKUXLYYRSXSBUKN-UHFFFAOYSA-N
XLogP3.44
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784371
N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine
CID 106783952
N-[[3-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]propan-1-amine
CID 106783983
N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784414
2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80783948
3,3-dimethyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783238
6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 79689981
6-(2-methyl-1H-imidazol-5-yl)-N-propylpyrimidin-4-amine
CID 134214075
N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine
CID 106888389
6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine
CID 114283482

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
The IUPAC name of N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine (CID 106784387) is N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine is CCCNc1cc(-c2cnc(C(F)(F)F)s2)ncn1.
What is the InChIKey of N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
The InChIKey is KUXLYYRSXSBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-2-3-15-9-4-7(17-6-18-9)8-5-16-10(19-8)11(12,13)14/h4-6H,2-3H2,1H3,(H,15,17,18).
What are the key properties of N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine?
N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine has a molecular weight of 288.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 106784387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).