N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine

C11H10F3N5S — CID 114566849

IUPACN-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Sc2ccncn2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5S/c1-2-16-10-18-7(11(12,13)14)5-9(19-10)20-8-3-4-15-6-17-8/h3-6H,2H2,1H3,(H,16,18,19)
InChIKeyDPACJFPPQWSAHS-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.87
Rot. Bonds4

About N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566849) has the molecular formula C11H10F3N5S and a molecular weight of 301.30 g/mol. Its IUPAC name is N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566849
Molecular FormulaC11H10F3N5S
Molecular Weight301.30 g/mol
Exact Mass301.06
IUPAC NameN-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Sc2ccncn2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5S/c1-2-16-10-18-7(11(12,13)14)5-9(19-10)20-8-3-4-15-6-17-8/h3-6H,2H2,1H3,(H,16,18,19)
InChIKeyDPACJFPPQWSAHS-UHFFFAOYSA-N
XLogP2.87
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566701
N-ethyl-4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566738
N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566913
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566792
3-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 114566815
N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103335001
N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 80888853
4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566898
2-tert-butyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine
CID 80963270
N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566632
N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563476
3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 102761520

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566849) is N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(Sc2ccncn2)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DPACJFPPQWSAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5S/c1-2-16-10-18-7(11(12,13)14)5-9(19-10)20-8-3-4-15-6-17-8/h3-6H,2H2,1H3,(H,16,18,19).
What are the key properties of N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 301.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).