6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H14F3N5O — CID 106390392

IUPAC6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)c2ncc(C)o2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O/c1-6-5-17-10(21-6)7(2)18-9-4-8(16-3)19-11(20-9)12(13,14)15/h4-5,7H,1-3H3,(H2,16,18,19,20)
InChIKeyVJTJNUGQMMBUPT-UHFFFAOYSA-N
MW301.27 g/mol
LogP3.01
Rot. Bonds4

About 6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106390392) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106390392
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)c2ncc(C)o2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H14F3N5O/c1-6-5-17-10(21-6)7(2)18-9-4-8(16-3)19-11(20-9)12(13,14)15/h4-5,7H,1-3H3,(H2,16,18,19,20)
InChIKeyVJTJNUGQMMBUPT-UHFFFAOYSA-N
XLogP3.01
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946658
6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106390426
6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390412
2,3,5,6-tetrafluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
CID 103946610
2-chloro-6-(methylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 103948959
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106387726
4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772128
2-(methoxymethyl)-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106390312
3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 103893751
5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 104844331
6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106296239
5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine
CID 106388838

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106390392) is 6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NC(C)c2ncc(C)o2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is VJTJNUGQMMBUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-6-5-17-10(21-6)7(2)18-9-4-8(16-3)19-11(20-9)12(13,14)15/h4-5,7H,1-3H3,(H2,16,18,19,20).
What are the key properties of 6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 301.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106390392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).