2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine

C13H13F3N4 — CID 155568861

IUPAC2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine
SMILESCc1ncc(CNc2ccc(C(F)(F)F)cc2)c(N)n1
InChIInChI=1S/C13H13F3N4/c1-8-18-6-9(12(17)20-8)7-19-11-4-2-10(3-5-11)13(14,15)16/h2-6,19H,7H2,1H3,(H2,17,18,20)
InChIKeyLWFQPZTXBWBJHI-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine

2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine (PubChem CID 155568861) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine
PubChem CID155568861
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine
SMILESCc1ncc(CNc2ccc(C(F)(F)F)cc2)c(N)n1
InChIInChI=1S/C13H13F3N4/c1-8-18-6-9(12(17)20-8)7-19-11-4-2-10(3-5-11)13(14,15)16/h2-6,19H,7H2,1H3,(H2,17,18,20)
InChIKeyLWFQPZTXBWBJHI-UHFFFAOYSA-N
XLogP3.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
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CID 24782891
4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
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US10450297, Example 50
CID 57584772

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine (CID 155568861) is 2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine is Cc1ncc(CNc2ccc(C(F)(F)F)cc2)c(N)n1.
What is the InChIKey of 2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine?
The InChIKey is LWFQPZTXBWBJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-8-18-6-9(12(17)20-8)7-19-11-4-2-10(3-5-11)13(14,15)16/h2-6,19H,7H2,1H3,(H2,17,18,20).
What are the key properties of 2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine?
2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine has a molecular weight of 282.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 155568861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).