4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C11H15F3N4O — CID 106772688

IUPAC4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC1OCCC1N(C)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-6-7(3-4-19-6)18(2)9-5-8(15)16-10(17-9)11(12,13)14/h5-7H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyVIVDHCBHYXUTSC-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.69
Rot. Bonds2

About 4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772688) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772688
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCC1OCCC1N(C)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-6-7(3-4-19-6)18(2)9-5-8(15)16-10(17-9)11(12,13)14/h5-7H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyVIVDHCBHYXUTSC-UHFFFAOYSA-N
XLogP1.69
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718072
2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640178
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82744511
2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine
CID 80967623
3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile
CID 103468909
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
4-fluoro-5-iodo-2-N-methyl-2-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82741706
4-chloro-5-fluoro-1-N-methyl-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82741235
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772544
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 114195297
3-N-methyl-3-N-(2-methyloxolan-3-yl)benzene-1,3-diamine
CID 82741229
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82745998

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772688) is 4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CC1OCCC1N(C)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is VIVDHCBHYXUTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-6-7(3-4-19-6)18(2)9-5-8(15)16-10(17-9)11(12,13)14/h5-7H,3-4H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 276.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methyloxolan-3-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).