2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane

C10H13F3N4O — CID 134279370

IUPAC2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane
SMILESCc1nc(N2CCNCCO2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O/c1-7-15-8(10(11,12)13)6-9(16-7)17-4-2-14-3-5-18-17/h6,14H,2-5H2,1H3
InChIKeyQOIULDGEORAGEA-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.15
Rot. Bonds1

About 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane

2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane (PubChem CID 134279370) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane.

Molecular Properties

Compound Name2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane
PubChem CID134279370
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane
SMILESCc1nc(N2CCNCCO2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O/c1-7-15-8(10(11,12)13)6-9(16-7)17-4-2-14-3-5-18-17/h6,14H,2-5H2,1H3
InChIKeyQOIULDGEORAGEA-UHFFFAOYSA-N
XLogP1.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-Methyl-2-propyl-4-pyrimidinyl)amino]ethanol
CID 6459535
2-Methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
CID 4778294
4-Cyclopropylamino-2-(3-methoxypropylamino)-6-trifluoromethylpyrimidine
CID 13883399
4-N-ethyl-2-N-(3-methoxypropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 13883404
2-N-ethyl-4-N-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 13883405
2-N-(3-methoxypropyl)-4-N-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 13883406
1-[2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepane
CID 17935441
4-[4-[2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]butan-1-amine
CID 18315309
4-Methyl-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine
CID 33697935
[4-(Ethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide
CID 57036482
2-(1-amino-3-methoxypropyl)-N-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 57074353
2,6-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 60922970

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane?
The IUPAC name of 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane (CID 134279370) is 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane.
What is the SMILES notation for 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane?
The canonical SMILES for 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane is Cc1nc(N2CCNCCO2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane?
The InChIKey is QOIULDGEORAGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-7-15-8(10(11,12)13)6-9(16-7)17-4-2-14-3-5-18-17/h6,14H,2-5H2,1H3.
What are the key properties of 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane?
2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane has a molecular weight of 262.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,5-oxadiazepane is sourced from PubChem (CID 134279370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).