N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C13H13F3N4 — CID 106769805

IUPACN-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Cc2cccnc2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4/c1-2-18-11-7-10(6-9-4-3-5-17-8-9)19-12(20-11)13(14,15)16/h3-5,7-8H,2,6H2,1H3,(H,18,19,20)
InChIKeyZNOUZDVQSQOTGL-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.91
Rot. Bonds4

About N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine

N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106769805) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106769805
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC NameN-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(Cc2cccnc2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4/c1-2-18-11-7-10(6-9-4-3-5-17-8-9)19-12(20-11)13(14,15)16/h3-5,7-8H,2,6H2,1H3,(H,18,19,20)
InChIKeyZNOUZDVQSQOTGL-UHFFFAOYSA-N
XLogP2.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769802
N-ethyl-2-propyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737131
N-ethyl-6-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769688
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554
N-methyl-2-propyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737132
2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717377
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769352
6-N-ethyl-2-N-(2-pyridin-3-ylethyl)pyrazine-2,6-diamine
CID 78990149
6-ethyl-2-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 65418872
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773628
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106769805) is N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(Cc2cccnc2)nc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZNOUZDVQSQOTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-2-18-11-7-10(6-9-4-3-5-17-8-9)19-12(20-11)13(14,15)16/h3-5,7-8H,2,6H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 282.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106769805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).