6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C14H23F3N4 — CID 106772673

IUPAC6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCCCCCCNc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C14H23F3N4/c1-3-4-5-6-7-8-9-19-12-10-11(18-2)20-13(21-12)14(15,16)17/h10H,3-9H2,1-2H3,(H2,18,19,20,21)
InChIKeyUFLLAGDWYCCFOF-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.31
Rot. Bonds9

About 6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772673) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772673
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC Name6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCCCCCCNc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C14H23F3N4/c1-3-4-5-6-7-8-9-19-12-10-11(18-2)20-13(21-12)14(15,16)17/h10H,3-9H2,1-2H3,(H2,18,19,20,21)
InChIKeyUFLLAGDWYCCFOF-UHFFFAOYSA-N
XLogP4.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
4-N-(3-butoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773058
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872
N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106771575
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
N-hexyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720771
6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106296239
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
N-octyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305075

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772673) is 6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCCCCCCCNc1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is UFLLAGDWYCCFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-3-4-5-6-7-8-9-19-12-10-11(18-2)20-13(21-12)14(15,16)17/h10H,3-9H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 304.36 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).