4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H15F3N4O2 — CID 114565777

IUPAC4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOC1(CNc2cc(C(F)(F)F)nc(N)n2)CCOC1
InChIInChI=1S/C11H15F3N4O2/c1-19-10(2-3-20-6-10)5-16-8-4-7(11(12,13)14)17-9(15)18-8/h4H,2-3,5-6H2,1H3,(H3,15,16,17,18)
InChIKeyKUBUGQZQFYFPNR-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.29
Rot. Bonds4

About 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565777) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565777
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOC1(CNc2cc(C(F)(F)F)nc(N)n2)CCOC1
InChIInChI=1S/C11H15F3N4O2/c1-19-10(2-3-20-6-10)5-16-8-4-7(11(12,13)14)17-9(15)18-8/h4H,2-3,5-6H2,1H3,(H3,15,16,17,18)
InChIKeyKUBUGQZQFYFPNR-UHFFFAOYSA-N
XLogP1.29
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565777) is 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is COC1(CNc2cc(C(F)(F)F)nc(N)n2)CCOC1.
What is the InChIKey of 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is KUBUGQZQFYFPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-19-10(2-3-20-6-10)5-16-8-4-7(11(12,13)14)17-9(15)18-8/h4H,2-3,5-6H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 292.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).