N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H10F3N3OS — CID 107785223

IUPACN-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2ccoc2C)nc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3OS/c1-6-7(3-4-18-6)19-9-5-8(15-2)16-10(17-9)11(12,13)14/h3-5H,1-2H3,(H,15,16,17)
InChIKeyZZEWEYDNOSFAOR-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.59
Rot. Bonds3

About N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 107785223) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID107785223
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC NameN-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2ccoc2C)nc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N3OS/c1-6-7(3-4-18-6)19-9-5-8(15-2)16-10(17-9)11(12,13)14/h3-5H,1-2H3,(H,15,16,17)
InChIKeyZZEWEYDNOSFAOR-UHFFFAOYSA-N
XLogP3.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775119
N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775288
6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775008
N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720269
4-bromo-6-(2-methylfuran-3-yl)sulfanyl-2-propan-2-ylpyrimidine
CID 107780843
[6-(2,5-difluorophenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776561
4-chloro-2-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidine
CID 107780879
6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106296239
4-N-(3,5-dimethylcyclohexyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772242
N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774909
2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779261
6-(2,4-difluorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80893816

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 107785223) is N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2ccoc2C)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZZEWEYDNOSFAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-6-7(3-4-18-6)19-9-5-8(15-2)16-10(17-9)11(12,13)14/h3-5H,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 289.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 107785223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).