6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine

C13H15F3N6 — CID 2726000

IUPAC6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCCNc2cccc(C(F)(F)F)n2)nc(N)n1
InChIInChI=1S/C13H15F3N6/c1-8-7-11(22-12(17)20-8)19-6-5-18-10-4-2-3-9(21-10)13(14,15)16/h2-4,7H,5-6H2,1H3,(H,18,21)(H3,17,19,20,22)
InChIKeyVOHOPBSRIRLLCX-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.31
Rot. Bonds5

About 6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine

6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine (PubChem CID 2726000) has the molecular formula C13H15F3N6 and a molecular weight of 312.30 g/mol. Its IUPAC name is 6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine
PubChem CID2726000
Molecular FormulaC13H15F3N6
Molecular Weight312.30 g/mol
Exact Mass312.13
IUPAC Name6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCCNc2cccc(C(F)(F)F)n2)nc(N)n1
InChIInChI=1S/C13H15F3N6/c1-8-7-11(22-12(17)20-8)19-6-5-18-10-4-2-3-9(21-10)13(14,15)16/h2-4,7H,5-6H2,1H3,(H,18,21)(H3,17,19,20,22)
InChIKeyVOHOPBSRIRLLCX-UHFFFAOYSA-N
XLogP2.31
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-octyl-6-(trifluoromethyl)pyridin-2-amine
CID 115568965
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
4-N-[(6-methyl-2-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564857
6-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112726070
4-N-[2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564151
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 64530665
1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 103875643
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 78942063
4-N-[(4-methylphenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563927

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine (CID 2726000) is 6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine is Cc1cc(NCCNc2cccc(C(F)(F)F)n2)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine?
The InChIKey is VOHOPBSRIRLLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6/c1-8-7-11(22-12(17)20-8)19-6-5-18-10-4-2-3-9(21-10)13(14,15)16/h2-4,7H,5-6H2,1H3,(H,18,21)(H3,17,19,20,22).
What are the key properties of 6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine?
6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine has a molecular weight of 312.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 2726000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).