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

C11H12F3N5O — CID 106378482

IUPAC4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCc1cnc(CNc2cc(C(F)(F)F)nc(N)n2)o1
InChIInChI=1S/C11H12F3N5O/c1-2-6-4-17-9(20-6)5-16-8-3-7(11(12,13)14)18-10(15)19-8/h3-4H,2,5H2,1H3,(H3,15,16,18,19)
InChIKeyPUCRKHRGZJRMNO-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.24
Rot. Bonds4

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

4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 106378482) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID106378482
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCc1cnc(CNc2cc(C(F)(F)F)nc(N)n2)o1
InChIInChI=1S/C11H12F3N5O/c1-2-6-4-17-9(20-6)5-16-8-3-7(11(12,13)14)18-10(15)19-8/h3-4H,2,5H2,1H3,(H3,15,16,18,19)
InChIKeyPUCRKHRGZJRMNO-UHFFFAOYSA-N
XLogP2.24
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(5-ethyl-1,3-oxazol-2-yl)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]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 106378482) is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCc1cnc(CNc2cc(C(F)(F)F)nc(N)n2)o1.
What is the InChIKey of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is PUCRKHRGZJRMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-2-6-4-17-9(20-6)5-16-8-3-7(11(12,13)14)18-10(15)19-8/h3-4H,2,5H2,1H3,(H3,15,16,18,19).
What are the key properties of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 287.25 g/mol, XLogP of 2.24, 4 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]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106378482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).