[2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

C11H16F3N3S — CID 114205970

IUPAC[2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCC(C)CSCc1ncc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3S/c1-7(2)5-18-6-9-16-4-8(3-15)10(17-9)11(12,13)14/h4,7H,3,5-6,15H2,1-2H3
InChIKeyPJSWKAVSRYNVOL-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.84
Rot. Bonds5

About [2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

[2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 114205970) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is [2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID114205970
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name[2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCC(C)CSCc1ncc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3S/c1-7(2)5-18-6-9-16-4-8(3-15)10(17-9)11(12,13)14/h4,7H,3,5-6,15H2,1-2H3
InChIKeyPJSWKAVSRYNVOL-UHFFFAOYSA-N
XLogP2.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207085
[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 82506813
[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65138108
N-ethyl-5-iodo-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 66302915
1-[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]butan-2-amine
CID 65137031
7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one
CID 65137502
2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114212277
6-ethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 65137126
1,1,1-trifluoro-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798413
2-methyl-N-[[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65137560
[2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 114205979
[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081572

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 114205970) is [2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is CC(C)CSCc1ncc(CN)c(C(F)(F)F)n1.
What is the InChIKey of [2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is PJSWKAVSRYNVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-7(2)5-18-6-9-16-4-8(3-15)10(17-9)11(12,13)14/h4,7H,3,5-6,15H2,1-2H3.
What are the key properties of [2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
[2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 279.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114205970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).