6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C10H8ClF3N4O — CID 114180783

IUPAC6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(Cl)nc(C(F)(F)F)n2)o1
InChIInChI=1S/C10H8ClF3N4O/c1-5-3-16-8(19-5)4-15-7-2-6(11)17-9(18-7)10(12,13)14/h2-3H,4H2,1H3,(H,15,17,18)
InChIKeyPGCJSSCXCHUIPF-UHFFFAOYSA-N
MW292.65 g/mol
LogP3.06
Rot. Bonds3

About 6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114180783) has the molecular formula C10H8ClF3N4O and a molecular weight of 292.65 g/mol. Its IUPAC name is 6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114180783
Molecular FormulaC10H8ClF3N4O
Molecular Weight292.65 g/mol
Exact Mass292.03
IUPAC Name6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(Cl)nc(C(F)(F)F)n2)o1
InChIInChI=1S/C10H8ClF3N4O/c1-5-3-16-8(19-5)4-15-7-2-6(11)17-9(18-7)10(12,13)14/h2-3H,4H2,1H3,(H,15,17,18)
InChIKeyPGCJSSCXCHUIPF-UHFFFAOYSA-N
XLogP3.06
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine 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

2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 164631259
5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine
CID 103826185
5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946675
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyrimidin-4-amine
CID 106375375
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106375379
6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106375408
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375429
6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106375471
2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106375480
2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375529
6-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106375614
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106378424

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 114180783) is 6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is Cc1cnc(CNc2cc(Cl)nc(C(F)(F)F)n2)o1.
What is the InChIKey of 6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PGCJSSCXCHUIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O/c1-5-3-16-8(19-5)4-15-7-2-6(11)17-9(18-7)10(12,13)14/h2-3H,4H2,1H3,(H,15,17,18).
What are the key properties of 6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 292.65 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114180783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).