4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C11H17F3N4 — CID 141126351

IUPAC4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCC(CC)CNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-3-7(4-2)5-16-9-8(11(12,13)14)6-17-10(15)18-9/h6-7H,3-5H2,1-2H3,(H3,15,16,17,18)
InChIKeyBHHHUAFZVMRYTF-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.93
Rot. Bonds5

About 4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 141126351) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID141126351
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCC(CC)CNc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C11H17F3N4/c1-3-7(4-2)5-16-9-8(11(12,13)14)6-17-10(15)18-9/h6-7H,3-5H2,1-2H3,(H3,15,16,17,18)
InChIKeyBHHHUAFZVMRYTF-UHFFFAOYSA-N
XLogP2.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 141126351) is 4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCC(CC)CNc1nc(N)ncc1C(F)(F)F.
What is the InChIKey of 4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is BHHHUAFZVMRYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-3-7(4-2)5-16-9-8(11(12,13)14)6-17-10(15)18-9/h6-7H,3-5H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylbutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141126351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).