6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

C9H12F3N3S — CID 106774953

IUPAC6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(C)Sc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3S/c1-3-5(2)16-7-4-6(13)14-8(15-7)9(10,11)12/h4-5H,3H2,1-2H3,(H2,13,14,15)
InChIKeySQZJDCINOHWZNA-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.97
Rot. Bonds3

About 6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774953) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774953
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC(C)Sc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3S/c1-3-5(2)16-7-4-6(13)14-8(15-7)9(10,11)12/h4-5H,3H2,1-2H3,(H2,13,14,15)
InChIKeySQZJDCINOHWZNA-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methylthio-pyrimidine-2,4-diamine
CID 235893
2-[(2,6-Diaminopyrimidin-4-yl)sulfanyl]acetamide
CID 1712443
4-Pyrimidinamine, 6-(butylthio)-2-chloro-
CID 478116
4-Isobutylsulfanyl-2,6-diisobutylamino-pyrimidine
CID 25130897
6-(methylsulfanyl)-N-propylpyrimidin-4-amine
CID 80885847
6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine
CID 610528
6-(Tert-butylsulfanyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 929995
1-Cyano-2-methyl-3-[3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropyl]guanidine
CID 54036039
2-(3,3,3-Trifluoropropylsulfanyl)pyrimidine-4,6-diamine
CID 60425578
2-(2,2-Difluorocyclopropyl)-4,6-bis(methylthio)pyrimidine
CID 117679235
6-((Trifluoromethyl)thio)pyrimidin-4-amine
CID 121320703
6-Prop-2-ynylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 146291225

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774953) is 6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CCC(C)Sc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SQZJDCINOHWZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c1-3-5(2)16-7-4-6(13)14-8(15-7)9(10,11)12/h4-5H,3H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 251.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).