4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C9H8F3N5O — CID 106424494

IUPAC4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCc2ccno2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)8-16-6(13)3-7(17-8)14-4-5-1-2-15-18-5/h1-3H,4H2,(H3,13,14,16,17)
InChIKeyVBGYHYZCXWFXBU-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.68
Rot. Bonds3

About 4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106424494) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is 4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106424494
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC Name4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCc2ccno2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)8-16-6(13)3-7(17-8)14-4-5-1-2-15-18-5/h1-3H,4H2,(H3,13,14,16,17)
InChIKeyVBGYHYZCXWFXBU-UHFFFAOYSA-N
XLogP1.68
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770518
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106411589
4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439
4-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771771
4-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771029
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
2,6-dimethyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106419057
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444
3-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 106771724
4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770416
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106304450

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106424494) is 4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is Nc1cc(NCc2ccno2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is VBGYHYZCXWFXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c10-9(11,12)8-16-6(13)3-7(17-8)14-4-5-1-2-15-18-5/h1-3H,4H2,(H3,13,14,16,17).
What are the key properties of 4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 259.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106424494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).