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

C12H14F3N5O — CID 106378540

IUPAC4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCc1cnc(CNc2cc(C(F)(F)F)nc(NC)n2)o1
InChIInChI=1S/C12H14F3N5O/c1-3-7-5-18-10(21-7)6-17-9-4-8(12(13,14)15)19-11(16-2)20-9/h4-5H,3,6H2,1-2H3,(H2,16,17,19,20)
InChIKeyCRTQSJYGOOKWMF-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.70
Rot. Bonds5

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

4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 106378540) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID106378540
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCc1cnc(CNc2cc(C(F)(F)F)nc(NC)n2)o1
InChIInChI=1S/C12H14F3N5O/c1-3-7-5-18-10(21-7)6-17-9-4-8(12(13,14)15)19-11(16-2)20-9/h4-5H,3,6H2,1-2H3,(H2,16,17,19,20)
InChIKeyCRTQSJYGOOKWMF-UHFFFAOYSA-N
XLogP2.70
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-N-methyl-2-N-[3-methyl-1-[2-(5-methyl-1,3-oxazol-2-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190594
1-[(5-Ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea
CID 126831085
2-[[4-[6-(Difluoromethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 136568898
2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 164631259
2,5-Dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine
CID 169248686
4,5-Dimethyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 53546250
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103623952
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103718664
5-fluoro-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736690
6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103880297
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103946638
5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946675

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 106378540) is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCc1cnc(CNc2cc(C(F)(F)F)nc(NC)n2)o1.
What is the InChIKey of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is CRTQSJYGOOKWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-3-7-5-18-10(21-7)6-17-9-4-8(12(13,14)15)19-11(16-2)20-9/h4-5H,3,6H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 301.27 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106378540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).