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

C12H17F3N4O — CID 106770783

IUPAC6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)C2CCCO2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-7(8-4-3-5-20-8)17-10-6-9(16-2)18-11(19-10)12(13,14)15/h6-8H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyIBZWULROJIQCKC-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.52
Rot. Bonds4

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

6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770783) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770783
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)C2CCCO2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-7(8-4-3-5-20-8)17-10-6-9(16-2)18-11(19-10)12(13,14)15/h6-8H,3-5H2,1-2H3,(H2,16,17,18,19)
InChIKeyIBZWULROJIQCKC-UHFFFAOYSA-N
XLogP2.52
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-cyclopropyl-4-N-methyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4,6-triamine
CID 95122020
4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 171359760
[1-[6-[1-(2,2,2-Trifluoroethoxy)propan-2-ylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144562
4-N,4-N-dimethyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 75379854
5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780770
5-fluoro-2-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80781506
2-N-ethyl-5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80781509
5-fluoro-4-N-[1-(oxolan-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80781603
6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80845407
2-methyl-6-N-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80845606
6-N-propyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80845777
6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80846404

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770783) is 6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NC(C)C2CCCO2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is IBZWULROJIQCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7(8-4-3-5-20-8)17-10-6-9(16-2)18-11(19-10)12(13,14)15/h6-8H,3-5H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 290.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).