2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine

C10H14F3N3S — CID 114207085

IUPAC2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCC(C)CSCc1ncc(N)c(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3S/c1-6(2)4-17-5-8-15-3-7(14)9(16-8)10(11,12)13/h3,6H,4-5,14H2,1-2H3
InChIKeyDLKZYXBRGFOHPX-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.97
Rot. Bonds4

About 2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine

2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 114207085) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
PubChem CID114207085
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCC(C)CSCc1ncc(N)c(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3S/c1-6(2)4-17-5-8-15-3-7(14)9(16-8)10(11,12)13/h3,6H,4-5,14H2,1-2H3
InChIKeyDLKZYXBRGFOHPX-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 114205970
2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114212277
N-ethyl-5-iodo-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 66302915
2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207086
1-[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]butan-2-amine
CID 65137031
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-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 82506813
7,7-dimethyl-2-(2-methylpropylsulfanylmethyl)-6,8-dihydroquinazolin-5-one
CID 65137502
[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65138108
5-tert-butyl-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 78850842
6-ethoxy-2-(trifluoromethyl)pyridin-3-amine
CID 130058116

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine (CID 114207085) is 2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine is CC(C)CSCc1ncc(N)c(C(F)(F)F)n1.
What is the InChIKey of 2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is DLKZYXBRGFOHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-6(2)4-17-5-8-15-3-7(14)9(16-8)10(11,12)13/h3,6H,4-5,14H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine?
2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 265.30 g/mol, XLogP of 2.97, 4 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-amine is sourced from PubChem (CID 114207085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).