2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C10H15F3N4 — CID 66629880

IUPAC2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCC(CC)Nc1ncc(C(F)(F)F)c(N)n1
InChIInChI=1S/C10H15F3N4/c1-3-6(4-2)16-9-15-5-7(8(14)17-9)10(11,12)13/h5-6H,3-4H2,1-2H3,(H3,14,15,16,17)
InChIKeyJLRDBOWBPGNQQX-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.68
Rot. Bonds4

About 2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 66629880) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID66629880
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCC(CC)Nc1ncc(C(F)(F)F)c(N)n1
InChIInChI=1S/C10H15F3N4/c1-3-6(4-2)16-9-15-5-7(8(14)17-9)10(11,12)13/h5-6H,3-4H2,1-2H3,(H3,14,15,16,17)
InChIKeyJLRDBOWBPGNQQX-UHFFFAOYSA-N
XLogP2.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 66629880) is 2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCC(CC)Nc1ncc(C(F)(F)F)c(N)n1.
What is the InChIKey of 2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is JLRDBOWBPGNQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-3-6(4-2)16-9-15-5-7(8(14)17-9)10(11,12)13/h5-6H,3-4H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 248.25 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66629880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).