4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H14F3N3S — CID 114563363

IUPAC4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(-c2csc(C)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3S/c1-3-4-17-12-18-10(9-5-8(2)20-7-9)6-11(19-12)13(14,15)16/h5-7H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyOVSFXEWREKRWEX-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.35
Rot. Bonds4

About 4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563363) has the molecular formula C13H14F3N3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563363
Molecular FormulaC13H14F3N3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(-c2csc(C)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3S/c1-3-4-17-12-18-10(9-5-8(2)20-7-9)6-11(19-12)13(14,15)16/h5-7H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyOVSFXEWREKRWEX-UHFFFAOYSA-N
XLogP4.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563224
2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine
CID 102824819
4-(2-methylbutan-2-yloxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566168
N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821862
2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565395
2-N-propyl-4-N-(thiolan-3-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107298718
4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566221
4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565088
N-ethyl-4-(5-methylthiophen-3-yl)-1,3-thiazol-2-amine
CID 131181990
N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 164627594
4-(4-chloropyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566071
4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565531

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563363) is 4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is CCCNc1nc(-c2csc(C)c2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OVSFXEWREKRWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3S/c1-3-4-17-12-18-10(9-5-8(2)20-7-9)6-11(19-12)13(14,15)16/h5-7H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 301.34 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-3-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).