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

C10H11F3N6O — CID 114564737

IUPAC2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2nc(C)no2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6O/c1-5-16-8(20-19-5)4-15-7-3-6(10(11,12)13)17-9(14-2)18-7/h3H,4H2,1-2H3,(H2,14,15,17,18)
InChIKeyNUXYDMQXAJSECX-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.84
Rot. Bonds4

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

2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564737) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564737
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Name2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2nc(C)no2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6O/c1-5-16-8(20-19-5)4-15-7-3-6(10(11,12)13)17-9(14-2)18-7/h3H,4H2,1-2H3,(H2,14,15,17,18)
InChIKeyNUXYDMQXAJSECX-UHFFFAOYSA-N
XLogP1.84
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

3-Cyclopropyl-5-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 36649679
N,N,6-trimethyl-2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-amine
CID 53573843
N-Methyl-5-{[(2,5,6-trimethylpyrimidin-4-YL)amino]methyl}-1,2,4-oxadiazole-3-carboxamide
CID 72881712
N~4~-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 72927896
2-chloro-N-(4,4-difluorocyclohexyl)-6-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-amine
CID 132207536
[(1S)-1-[3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid
CID 155271872
1-[3-[2-(Trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]ethylcarbamic acid
CID 155271874
[(1S)-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid
CID 155271887
1-[3-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]ethylcarbamic acid
CID 155271890
(1S)-1-[3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 155272334
(1S)-1-[3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 155272335
1-[3-[2-(Trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 155272336

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564737) is 2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(NCc2nc(C)no2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is NUXYDMQXAJSECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c1-5-16-8(20-19-5)4-15-7-3-6(10(11,12)13)17-9(14-2)18-7/h3H,4H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 288.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).