4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine

C8H10F3N3OS — CID 114566736

IUPAC4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOCCSc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C8H10F3N3OS/c1-15-2-3-16-6-4-5(8(9,10)11)13-7(12)14-6/h4H,2-3H2,1H3,(H2,12,13,14)
InChIKeyXHWGJUGKUSTZJX-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.82
Rot. Bonds4

About 4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566736) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566736
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCOCCSc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C8H10F3N3OS/c1-15-2-3-16-6-4-5(8(9,10)11)13-7(12)14-6/h4H,2-3H2,1H3,(H2,12,13,14)
InChIKeyXHWGJUGKUSTZJX-UHFFFAOYSA-N
XLogP1.82
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropanoate
CID 114566747
N-ethyl-4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566738
3-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 114566875
4-(3-methoxypropylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566851
4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563868
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106928592
[4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567865
2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine
CID 145361055
4-ethyl-6-(2-methoxyethylsulfanyl)-2-methylpyrimidine
CID 133461474
4-(1H-imidazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 107785018
4-(1,3,4-thiadiazol-2-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566656
4-(1H-1,2,4-triazol-5-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566720

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566736) is 4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine is COCCSc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XHWGJUGKUSTZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-15-2-3-16-6-4-5(8(9,10)11)13-7(12)14-6/h4H,2-3H2,1H3,(H2,12,13,14).
What are the key properties of 4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 253.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).