4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine

C11H6F13N3 — CID 135006135

IUPAC4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H6F13N3/c1-3-2-4(27-5(25)26-3)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1H3,(H2,25,26,27)
InChIKeyFTETUTMUYZCGEY-UHFFFAOYSA-N
MW427.16 g/mol
LogP4.56
Rot. Bonds5

About 4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine

4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine (PubChem CID 135006135) has the molecular formula C11H6F13N3 and a molecular weight of 427.16 g/mol. Its IUPAC name is 4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine
PubChem CID135006135
Molecular FormulaC11H6F13N3
Molecular Weight427.16 g/mol
Exact Mass427.04
IUPAC Name4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc(N)n1
InChIInChI=1S/C11H6F13N3/c1-3-2-4(27-5(25)26-3)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1H3,(H2,25,26,27)
InChIKeyFTETUTMUYZCGEY-UHFFFAOYSA-N
XLogP4.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.16
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4,6-dimethyl pyrimidine
CID 13021
4-Cyclopropyl-6-methyl-2-pyrimidinamine
CID 13672658
4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 600769
4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine
CID 691237
2-Chloro-4-ethyl-6-methylpyrimidine
CID 593377
2-Fluoro-4,6-dimethylpyrimidine
CID 15738775
2-(Ethylamino)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 3704748
4-Ethyl-6-methylpyrimidin-2-amine
CID 819560
2-Chloro-4-methyl-6-(trifluoromethyl)pyrimidine
CID 19846662
4-Methyl-6-pent-1-ynylpyrimidin-2-amine
CID 135260385
4-Methyl-6-pentylpyrimidin-2-amine
CID 135260401
2,4-Dimethyl-6-(trifluoromethyl)pyrimidine
CID 10654846

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine (CID 135006135) is 4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine is Cc1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine?
The InChIKey is FTETUTMUYZCGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F13N3/c1-3-2-4(27-5(25)26-3)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1H3,(H2,25,26,27).
What are the key properties of 4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine?
4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine has a molecular weight of 427.16 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidin-2-amine is sourced from PubChem (CID 135006135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).