6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine

C19H25F3N4 — CID 123955261

IUPAC6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine
SMILESCC(C)CC(C)(C)CNc1cc(-c2ccc(C(F)(F)F)cc2)nc(N)n1
InChIInChI=1S/C19H25F3N4/c1-12(2)10-18(3,4)11-24-16-9-15(25-17(23)26-16)13-5-7-14(8-6-13)19(20,21)22/h5-9,12H,10-11H2,1-4H3,(H3,23,24,25,26)
InChIKeyHMHALXWWZRGVAN-UHFFFAOYSA-N
MW366.43 g/mol
LogP5.23
Rot. Bonds6

About 6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine

6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine (PubChem CID 123955261) has the molecular formula C19H25F3N4 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine
PubChem CID123955261
Molecular FormulaC19H25F3N4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC Name6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine
SMILESCC(C)CC(C)(C)CNc1cc(-c2ccc(C(F)(F)F)cc2)nc(N)n1
InChIInChI=1S/C19H25F3N4/c1-12(2)10-18(3,4)11-24-16-9-15(25-17(23)26-16)13-5-7-14(8-6-13)19(20,21)22/h5-9,12H,10-11H2,1-4H3,(H3,23,24,25,26)
InChIKeyHMHALXWWZRGVAN-UHFFFAOYSA-N
XLogP5.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.43
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine (CID 123955261) is 6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine is CC(C)CC(C)(C)CNc1cc(-c2ccc(C(F)(F)F)cc2)nc(N)n1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine?
The InChIKey is HMHALXWWZRGVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4/c1-12(2)10-18(3,4)11-24-16-9-15(25-17(23)26-16)13-5-7-14(8-6-13)19(20,21)22/h5-9,12H,10-11H2,1-4H3,(H3,23,24,25,26).
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine?
6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine has a molecular weight of 366.43 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-4-N-(2,2,4-trimethylpentyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 123955261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).