4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H15F3N4O — CID 106770784

IUPAC4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC(Nc1cc(N)nc(C(F)(F)F)n1)C1CCCO1
InChIInChI=1S/C11H15F3N4O/c1-6(7-3-2-4-19-7)16-9-5-8(15)17-10(18-9)11(12,13)14/h5-7H,2-4H2,1H3,(H3,15,16,17,18)
InChIKeyNSQACFOSTDHMBY-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.06
Rot. Bonds3

About 4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770784) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770784
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC(Nc1cc(N)nc(C(F)(F)F)n1)C1CCCO1
InChIInChI=1S/C11H15F3N4O/c1-6(7-3-2-4-19-7)16-9-5-8(15)17-10(18-9)11(12,13)14/h5-7H,2-4H2,1H3,(H3,15,16,17,18)
InChIKeyNSQACFOSTDHMBY-UHFFFAOYSA-N
XLogP2.06
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770784) is 4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CC(Nc1cc(N)nc(C(F)(F)F)n1)C1CCCO1.
What is the InChIKey of 4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is NSQACFOSTDHMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-6(7-3-2-4-19-7)16-9-5-8(15)17-10(18-9)11(12,13)14/h5-7H,2-4H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 276.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).