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

C10H8F4N4S — CID 106784338

IUPACN-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(-c2cnc(C(F)(F)F)s2)n1
InChIInChI=1S/C10H8F4N4S/c1-2-15-9-17-3-5(11)7(18-9)6-4-16-8(19-6)10(12,13)14/h3-4H,2H2,1H3,(H,15,17,18)
InChIKeyMHRJQSREAGJNOM-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.19
Rot. Bonds3

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

N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 106784338) has the molecular formula C10H8F4N4S and a molecular weight of 292.26 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID106784338
Molecular FormulaC10H8F4N4S
Molecular Weight292.26 g/mol
Exact Mass292.04
IUPAC NameN-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(-c2cnc(C(F)(F)F)s2)n1
InChIInChI=1S/C10H8F4N4S/c1-2-15-9-17-3-5(11)7(18-9)6-4-16-8(19-6)10(12,13)14/h3-4H,2H2,1H3,(H,15,17,18)
InChIKeyMHRJQSREAGJNOM-UHFFFAOYSA-N
XLogP3.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784414
5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784371
N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 113482956
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-5-fluoropyrimidine-2,4-diamine
CID 80840287
4-N-(2,2-dimethylbutyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 103466679
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366489
N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine
CID 116546100
2-N-ethyl-4-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 106015477
5-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
CID 136696919
1-[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
CID 144826203
N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784387
N-ethyl-5-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892715

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 106784338) is N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is CCNc1ncc(F)c(-c2cnc(C(F)(F)F)s2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is MHRJQSREAGJNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N4S/c1-2-15-9-17-3-5(11)7(18-9)6-4-16-8(19-6)10(12,13)14/h3-4H,2H2,1H3,(H,15,17,18).
What are the key properties of N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 292.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 106784338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).