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

C10H10F3N5O — CID 106378659

IUPAC4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(CNc2cc(C(F)(F)F)nc(N)n2)o1
InChIInChI=1S/C10H10F3N5O/c1-5-3-16-8(19-5)4-15-7-2-6(10(11,12)13)17-9(14)18-7/h2-3H,4H2,1H3,(H3,14,15,17,18)
InChIKeyOTIGIJGRDLQCMA-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.99
Rot. Bonds3

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

4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 106378659) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID106378659
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(CNc2cc(C(F)(F)F)nc(N)n2)o1
InChIInChI=1S/C10H10F3N5O/c1-5-3-16-8(19-5)4-15-7-2-6(10(11,12)13)17-9(14)18-7/h2-3H,4H2,1H3,(H3,14,15,17,18)
InChIKeyOTIGIJGRDLQCMA-UHFFFAOYSA-N
XLogP1.99
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4-methylphenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563927
4-N-[(6-methyl-2-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564857
4-N-[(4-methyl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114957965
6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378679
4-N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565197
3-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 114565296
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072
4-N-[(3,4-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564540
4-N-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565194
6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 106379019
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 106378379
2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 106369748

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 106378659) is 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1cnc(CNc2cc(C(F)(F)F)nc(N)n2)o1.
What is the InChIKey of 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is OTIGIJGRDLQCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-5-3-16-8(19-5)4-15-7-2-6(10(11,12)13)17-9(14)18-7/h2-3H,4H2,1H3,(H3,14,15,17,18).
What are the key properties of 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 273.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106378659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).