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

C11H12F3N5O — CID 106378839

IUPAC4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(CNc2cc(C(F)(F)F)nc(N)n2)oc1C
InChIInChI=1S/C11H12F3N5O/c1-5-6(2)20-9(17-5)4-16-8-3-7(11(12,13)14)18-10(15)19-8/h3H,4H2,1-2H3,(H3,15,16,18,19)
InChIKeyVHZAONFNIWOUEY-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.29
Rot. Bonds3

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

4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 106378839) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID106378839
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1nc(CNc2cc(C(F)(F)F)nc(N)n2)oc1C
InChIInChI=1S/C11H12F3N5O/c1-5-6(2)20-9(17-5)4-16-8-3-7(11(12,13)14)18-10(15)19-8/h3H,4H2,1-2H3,(H3,15,16,18,19)
InChIKeyVHZAONFNIWOUEY-UHFFFAOYSA-N
XLogP2.29
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[6-(Difluoromethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 136568898
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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71888228
2-(Pyrrolidin-1-ylmethyl)-5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole
CID 97413693
N-ethyl-N-[[5-[6-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl]methyl]ethanamine
CID 97520334
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
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103946638
5-fluoro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946693
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104969953
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375429
2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375529

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 106378839) is 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1nc(CNc2cc(C(F)(F)F)nc(N)n2)oc1C.
What is the InChIKey of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is VHZAONFNIWOUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-5-6(2)20-9(17-5)4-16-8-3-7(11(12,13)14)18-10(15)19-8/h3H,4H2,1-2H3,(H3,15,16,18,19).
What are the key properties of 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 287.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 106378839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).