6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C7H8F3N3S — CID 106972565

IUPAC6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCSc1cc(NCC(F)(F)F)ncn1
InChIInChI=1S/C7H8F3N3S/c1-14-6-2-5(12-4-13-6)11-3-7(8,9)10/h2,4H,3H2,1H3,(H,11,12,13)
InChIKeyUVMIVHCDCNHKGS-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.17
Rot. Bonds3

About 6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 106972565) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is 6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID106972565
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC Name6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCSc1cc(NCC(F)(F)F)ncn1
InChIInChI=1S/C7H8F3N3S/c1-14-6-2-5(12-4-13-6)11-3-7(8,9)10/h2,4H,3H2,1H3,(H,11,12,13)
InChIKeyUVMIVHCDCNHKGS-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol
CID 106144784
2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106277817
2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 114164755
2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butanoic acid
CID 106972325
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 61278965
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
CID 130551187
N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106973796
6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 106973004
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 106972638

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 106972565) is 6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CSc1cc(NCC(F)(F)F)ncn1.
What is the InChIKey of 6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is UVMIVHCDCNHKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c1-14-6-2-5(12-4-13-6)11-3-7(8,9)10/h2,4H,3H2,1H3,(H,11,12,13).
What are the key properties of 6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 223.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 106972565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).